CAS 179162-55-1 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 179162-55-1, Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-, 4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoic acid, 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoic acid, 4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoic acid, Micafungin impurity 3
Molecular Formula
C21H21NO4
Molecular Weight
351.4  g/mol
InChI Key
PDTXSIGPZDVVIX-UHFFFAOYSA-N

CAS 179162-55-1
1 2D Structure

CAS 179162-55-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoic acid
2.1.2 InChI
InChI=1S/C21H21NO4/c1-2-3-4-13-25-18-11-9-16(10-12-18)20-14-19(22-26-20)15-5-7-17(8-6-15)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24)
2.1.3 InChI Key
PDTXSIGPZDVVIX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 179162-55-1

2. Benzoic Acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-

3. 4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoic Acid

4. 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoic Acid

5. 4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoic Acid

6. Micafungin Impurity 3

7. Schembl2353533

8. Mfcd20267356

9. Zinc79047850

10. Akos025395935

11. Ds-8489

12. Sb18167

13. Db-113097

14. Am20090710

15. Cs-0160970

16. F52834

17. A924886

18. A1-01692

19. 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoicacid

20. 4-[5-(4-n-pentyloxyphenyl)isoxazol-3-yl]benzoic Acid

21. 4-[5-(4-pentyloxyphenyl)isoxazole-3-yl]benzoic Acid

22. 4-(5-{4-[(pent-1-yl)oxy]phenyl}isoxazol-3-yl)benzoic Acid

23. 4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic Acid

24. 4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic Acid, 3-(4-carboxyphenyl)-5-[4-(pentyloxy)phenyl]-1,2-oxazole

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 351.4 g/mol
Molecular Formula C21H21NO4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass351.14705815 g/mol
Monoisotopic Mass351.14705815 g/mol
Topological Polar Surface Area72.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more

MARKET PLACE

Do you need sourcing support? Ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty