AB00674303-01
TL;DR: AB00674303-01 (CAS 865591-88-4) is a chemical compound with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
Also Known As: AB00674303-01, 2-{[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide, F1417-0079, 2-((3-cyano-5-oxo-4-(p-tolyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide, 2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
| Molecular Formula | C27H27N3O2S |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 5.3584 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1824 |
| Heavy Atoms | 33 |
| Complexity | 1188.5923 |
Chemical Identifiers
| CAS Number | 865591-88-4 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)C)C#N |
Product Overview
AB00674303-01 (CAS 865591-88-4), with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol. IUPAC: 2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
Chemical Property Profile of AB00674303-01
Property Insights of AB00674303-01
The XLogP value of 5.3584 indicates that AB00674303-01 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 AB00674303-01. Following Lipinski's Rule of Five, AB00674303-01 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 AB00674303-01?
The CAS number of AB00674303-01 is 865591-88-4.
What is the molecular formula of AB00674303-01?
The molecular formula of AB00674303-01 is C27H27N3O2S.
What is the molecular weight of AB00674303-01?
The molecular weight of AB00674303-01 is 457.18 g/mol.
Where can I buy AB00674303-01?
You can request a quote for AB00674303-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674303-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674303-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.