ChemDiv1_005650
TL;DR: ChemDiv1_005650 (CAS 337499-38-4) is a chemical compound with molecular formula C26H22N2O3S and molecular weight 442.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_005650, BAS 01369420, F0763-0027, methyl 5-cyano-4-(2-methylphenyl)-6-{[(naphthalen-1-yl)methyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, A2473/0105035
| Molecular Formula | C26H22N2O3S |
|---|---|
| Molecular Weight | 442.14 g/mol |
| LogP | 4.8194 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.1351 |
| Heavy Atoms | 32 |
| Complexity | 1270.0521 |
Chemical Identifiers
| CAS Number | 337499-38-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC3=CC=CC4=CC=CC=C43)C(=O)OC |
Product Overview
ChemDiv1_005650 (CAS 337499-38-4), with molecular formula C26H22N2O3S and molecular weight 442.14 g/mol. IUPAC: methyl 5-cyano-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_005650
Property Insights of ChemDiv1_005650
The XLogP value of 4.8194 indicates that ChemDiv1_005650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005650. Following Lipinski's Rule of Five, ChemDiv1_005650 has 1 hydrogen bond donor(s) and 5 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_005650?
The CAS number of ChemDiv1_005650 is 337499-38-4.
What is the molecular formula of ChemDiv1_005650?
The molecular formula of ChemDiv1_005650 is C26H22N2O3S.
What is the molecular weight of ChemDiv1_005650?
The molecular weight of ChemDiv1_005650 is 442.14 g/mol.
Where can I buy ChemDiv1_005650?
You can request a quote for ChemDiv1_005650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005650?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.