ChemDiv1_028785
TL;DR: ChemDiv1_028785 (CAS 369396-28-1) is a chemical compound with molecular formula C24H23N3O6S and molecular weight 481.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028785, methyl 5-cyano-4-(2-methoxyphenyl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-2-hydroxy-4-(2-methoxyphenyl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate, methyl 5-cyano-4-(2-methoxyphenyl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, METHYL 5-CYANO-4-(2-METHOXYPHENYL)-6-({[(4-METHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C24H23N3O6S |
|---|---|
| Molecular Weight | 481.13 g/mol |
| LogP | 2.81348 |
| Topological Polar Surface Area | 126.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.13077 |
| Heavy Atoms | 34 |
| Complexity | 1156.0435 |
Chemical Identifiers
| CAS Number | 369396-28-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3OC)C#N |
Product Overview
ChemDiv1_028785 (CAS 369396-28-1), with molecular formula C24H23N3O6S and molecular weight 481.13 g/mol. IUPAC: methyl 5-cyano-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028785
Property Insights of ChemDiv1_028785
The XLogP value of 2.81348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028785. The TPSA of 126.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028785. Following Lipinski's Rule of Five, ChemDiv1_028785 has 2 hydrogen bond donor(s) and 8 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_028785?
The CAS number of ChemDiv1_028785 is 369396-28-1.
What is the molecular formula of ChemDiv1_028785?
The molecular formula of ChemDiv1_028785 is C24H23N3O6S.
What is the molecular weight of ChemDiv1_028785?
The molecular weight of ChemDiv1_028785 is 481.13 g/mol.
Where can I buy ChemDiv1_028785?
You can request a quote for ChemDiv1_028785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028785?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.