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CAS 915087-26-2 manufacturers and suppliers on PharmaCompass

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CAS 915087-26-2
Also known as: 915087-26-2, 4-[(1-cyanocyclobutyl)amino]-2-fluoro-n-methylbenzamide, 4-(1-cyanocyclobutylamino)-2-fluoro-n-methylbenzamide, N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide, Schembl547834, Dtxsid30657627
Molecular Formula
C13H14FN3O
Molecular Weight
247.27  g/mol
InChI Key
AAIGLIMPDRXLFW-UHFFFAOYSA-N

1 2D Structure

CAS 915087-26-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide
2.1.2 InChI
InChI=1S/C13H14FN3O/c1-16-12(18)10-4-3-9(7-11(10)14)17-13(8-15)5-2-6-13/h3-4,7,17H,2,5-6H2,1H3,(H,16,18)
2.1.3 InChI Key
AAIGLIMPDRXLFW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC(=O)C1=C(C=C(C=C1)NC2(CCC2)C#N)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 915087-26-2

2. 4-[(1-cyanocyclobutyl)amino]-2-fluoro-n-methylbenzamide

3. 4-(1-cyanocyclobutylamino)-2-fluoro-n-methylbenzamide

4. N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide

5. Schembl547834

6. Dtxsid30657627

7. Amy23406

8. Ab3592

9. Mfcd09909370

10. Zinc95093221

11. Bs-50071

12. Cs-0330349

13. A915781

14. A1-10735

15. 4-(1-cyano-cyclobutylamino)-2-fluoro-n-methyl-benzamide

16. N-methyl-4-(1 -cyanocyclobutylamino)-2-fluorobenzamide

2.3 Create Date
2009-08-10
3 Chemical and Physical Properties
Molecular Weight 247.27 g/mol
Molecular Formula C13H14FN3O
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass247.11209024 g/mol
Monoisotopic Mass247.11209024 g/mol
Topological Polar Surface Area64.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content

ethyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate...

URL Supplier Web Content
573762-57-9
Apalutamide
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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