AB00685931-01
TL;DR: AB00685931-01 (CAS 799819-50-4) is a chemical compound with molecular formula C23H22ClN3O5S and molecular weight 487.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: AB00685931-01, AB01278439-01, F1362-0151, N-(5-chloro-2-methoxyphenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-(5-chloro-2-methoxyphenyl)-2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide
| Molecular Formula | C23H22ClN3O5S |
|---|---|
| Molecular Weight | 487.10 g/mol |
| LogP | 4.07638 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.09686 |
| Heavy Atoms | 33 |
| Complexity | 1145.4022 |
Chemical Identifiers
| CAS Number | 799819-50-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OC)OC)C#N |
Product Overview
AB00685931-01 (CAS 799819-50-4), with molecular formula C23H22ClN3O5S and molecular weight 487.10 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00685931-01
Property Insights of AB00685931-01
The XLogP value of 4.07638 indicates that AB00685931-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685931-01. Following Lipinski's Rule of Five, AB00685931-01 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00685931-01?
The CAS number of AB00685931-01 is 799819-50-4.
What is the molecular formula of AB00685931-01?
The molecular formula of AB00685931-01 is C23H22ClN3O5S.
What is the molecular weight of AB00685931-01?
The molecular weight of AB00685931-01 is 487.10 g/mol.
Where can I buy AB00685931-01?
You can request a quote for AB00685931-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685931-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685931-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.