ChemDiv1_005747
TL;DR: ChemDiv1_005747 (CAS 375828-28-7) is a chemical compound with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_005747, BAS 01889462, methyl 5-cyano-2-oxo-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-4-(o-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate, F0763-0036, methyl 5-cyano-4-(2-methylphenyl)-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C24H23N3O4S |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 3.41312 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.14093 |
| Heavy Atoms | 32 |
| Complexity | 1136.0594 |
Chemical Identifiers
| CAS Number | 375828-28-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3C)C(=O)OC |
Product Overview
ChemDiv1_005747 (CAS 375828-28-7), with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol. IUPAC: methyl 5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_005747
Property Insights of ChemDiv1_005747
The XLogP value of 3.41312 indicates that ChemDiv1_005747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005747. Following Lipinski's Rule of Five, ChemDiv1_005747 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_005747?
The CAS number of ChemDiv1_005747 is 375828-28-7.
What is the molecular formula of ChemDiv1_005747?
The molecular formula of ChemDiv1_005747 is C24H23N3O4S.
What is the molecular weight of ChemDiv1_005747?
The molecular weight of ChemDiv1_005747 is 449.14 g/mol.
Where can I buy ChemDiv1_005747?
You can request a quote for ChemDiv1_005747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005747?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.