ChemDiv1_009218
TL;DR: ChemDiv1_009218 (CAS 370844-80-7) is a chemical compound with molecular formula C27H22F3N3O3S and molecular weight 525.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_009218, N-(3-acetylphenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide, F1155-0099, N-(3-acetylphenyl)-2-((3-cyano-5-oxo-4-(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(3-acetylphenyl)-2-({3-cyano-5-hydroxy-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinolin-2-yl}sulfanyl)acetamide
| Molecular Formula | C27H22F3N3O3S |
|---|---|
| Molecular Weight | 525.13 g/mol |
| LogP | 5.70898 |
| Topological Polar Surface Area | 99.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.1334 |
| Heavy Atoms | 37 |
| Complexity | 1388.9957 |
Chemical Identifiers
| CAS Number | 370844-80-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4C(F)(F)F)C#N |
Product Overview
ChemDiv1_009218 (CAS 370844-80-7), with molecular formula C27H22F3N3O3S and molecular weight 525.13 g/mol. IUPAC: N-(3-acetylphenyl)-2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_009218
Property Insights of ChemDiv1_009218
The XLogP value of 5.70898 indicates that ChemDiv1_009218 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009218. Following Lipinski's Rule of Five, ChemDiv1_009218 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009218?
The CAS number of ChemDiv1_009218 is 370844-80-7.
What is the molecular formula of ChemDiv1_009218?
The molecular formula of ChemDiv1_009218 is C27H22F3N3O3S.
What is the molecular weight of ChemDiv1_009218?
The molecular weight of ChemDiv1_009218 is 525.13 g/mol.
Where can I buy ChemDiv1_009218?
You can request a quote for ChemDiv1_009218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009218?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.