ChemDiv1_028513
TL;DR: ChemDiv1_028513 (CAS 369397-81-9) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: ChemDiv1_028513, 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide, 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide, F1155-0124, 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide
| Molecular Formula | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 3.7228 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1074.7316 |
Chemical Identifiers
| CAS Number | 369397-81-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OC)OC)C#N |
Product Overview
ChemDiv1_028513 (CAS 369397-81-9), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_028513
Property Insights of ChemDiv1_028513
The XLogP value of 3.7228 indicates that ChemDiv1_028513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028513. Following Lipinski's Rule of Five, ChemDiv1_028513 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_028513?
The CAS number of ChemDiv1_028513 is 369397-81-9.
What is the molecular formula of ChemDiv1_028513?
The molecular formula of ChemDiv1_028513 is C23H23N3O4S.
What is the molecular weight of ChemDiv1_028513?
The molecular weight of ChemDiv1_028513 is 437.14 g/mol.
Where can I buy ChemDiv1_028513?
You can request a quote for ChemDiv1_028513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028513?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.