DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 Listed Suppliers

1 API Suppliers
1 Listed Suppliers

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 15686-33-6, 6,6'-methylenebis(4-chloro-2-isopropyl-5-methylphenol), Biclotymol [inn:dcf], 6,6'-dichlor-2,2'-methylendithymol, Hexaspray, 4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol

Molecular Formula

C₂₁H₂₆Cl₂O₂

Molecular Weight

381.3 g/mol

InChI Key

HNOOXWDWUSLXOB-UHFFFAOYSA-N

FDA UNII

W4K0AE8XW9

1 2D Structure

Biclotymol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol

2.1.2 InChI

InChI=1S/C21H26Cl2O2/c1-10(2)14-8-18(22)12(5)16(20(14)24)7-17-13(6)19(23)9-15(11(3)4)21(17)25/h8-11,24-25H,7H2,1-6H3

2.1.3 InChI Key

HNOOXWDWUSLXOB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C(=C1CC2=C(C(=CC(=C2C)Cl)C(C)C)O)O)C(C)C)Cl

2.2 Other Identifiers

2.2.1 UNII

W4K0AE8XW9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,2-methylenebis(4-chloro-3-methyl-isopropylphenol)

2.3.2 Depositor-Supplied Synonyms

1. 15686-33-6

2. 6,6'-methylenebis(4-chloro-2-isopropyl-5-methylphenol)

3. Biclotymol [inn:dcf]

4. 6,6'-dichlor-2,2'-methylendithymol

5. Hexaspray

6. 4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol

7. 2,2'-methylenebis(6-chlorothymole)

8. W4k0ae8xw9

9. Biclotymol (inn)

10. Biclotymolum

11. Biclotymol [inn]

12. Hexaspray (tn)

13. Biclotymolum [inn-latin]

14. Unii-w4k0ae8xw9

15. Einecs 239-771-5

16. Thymol, 2,2'-methylenebis[6-chloro-

17. Phenol, 2,2'-methylenebis[4-chloro-3-methyl-6-(1-methylethyl)-

18. Biclotymol [mart.]

19. Biclotymol [who-dd]

20. Schembl70634

21. Chembl2107655

22. Dtxsid90166144

23. Chebi:177790

24. Zinc4215009

25. Mfcd00865128

26. Ds-13173

27. Cs-0059759

28. D07527

29. W17157

30. 686b336

31. Q2901642

32. 2,2-methylenebis(4-chloro-3-methyl-isopropylphenol)

33. 4-chloro-2-[(5-chloro-2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]-6-isopropyl-3-methyl-phenol

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₆Cl₂O₂
Molecular Weight	381.3 g/mol
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	380.1309855 g/mol
Monoisotopic Mass	380.1309855 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	390
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1