AB00673461-01
TL;DR: AB00673461-01 (CAS 369394-21-8) is a chemical compound with molecular formula C27H24F3N3O2S and molecular weight 511.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Also Known As: AB00673461-01, F1155-0097, 2-((3-cyano-5-oxo-4-(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide, 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide, 2-({3-cyano-5-hydroxy-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinolin-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
| Molecular Formula | C27H24F3N3O2S |
|---|---|
| Molecular Weight | 511.15 g/mol |
| LogP | 6.12322 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.15414 |
| Heavy Atoms | 36 |
| Complexity | 1338.5046 |
Chemical Identifiers
| CAS Number | 369394-21-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4C(F)(F)F)C#N)C |
Product Overview
AB00673461-01 (CAS 369394-21-8), with molecular formula C27H24F3N3O2S and molecular weight 511.15 g/mol. IUPAC: 2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
Chemical Property Profile of AB00673461-01
Property Insights of AB00673461-01
The XLogP value of 6.12322 indicates that AB00673461-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673461-01. Following Lipinski's Rule of Five, AB00673461-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00673461-01?
The CAS number of AB00673461-01 is 369394-21-8.
What is the molecular formula of AB00673461-01?
The molecular formula of AB00673461-01 is C27H24F3N3O2S.
What is the molecular weight of AB00673461-01?
The molecular weight of AB00673461-01 is 511.15 g/mol.
Where can I buy AB00673461-01?
You can request a quote for AB00673461-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673461-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673461-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.