ChemDiv1_028602
TL;DR: ChemDiv1_028602 (CAS 370854-52-7) is a chemical compound with molecular formula C24H22ClN3O4S and molecular weight 483.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chlorophenyl)-5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028602, methyl 4-(2-chlorophenyl)-5-cyano-6-((2-((4-ethylphenyl)amino)-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, METHYL 4-(2-CHLOROPHENYL)-5-CYANO-6-({[(4-ETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, methyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 4-(2-chlorophenyl)-5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C24H22ClN3O4S |
|---|---|
| Molecular Weight | 483.10 g/mol |
| LogP | 4.01208 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.10196 |
| Heavy Atoms | 33 |
| Complexity | 1141.1434 |
Chemical Identifiers
| CAS Number | 370854-52-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3Cl)C#N |
Product Overview
ChemDiv1_028602 (CAS 370854-52-7), with molecular formula C24H22ClN3O4S and molecular weight 483.10 g/mol. IUPAC: methyl 4-(2-chlorophenyl)-5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028602
Property Insights of ChemDiv1_028602
The XLogP value of 4.01208 indicates that ChemDiv1_028602 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_028602. Following Lipinski's Rule of Five, ChemDiv1_028602 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_028602?
The CAS number of ChemDiv1_028602 is 370854-52-7.
What is the molecular formula of ChemDiv1_028602?
The molecular formula of ChemDiv1_028602 is C24H22ClN3O4S.
What is the molecular weight of ChemDiv1_028602?
The molecular weight of ChemDiv1_028602 is 483.10 g/mol.
Where can I buy ChemDiv1_028602?
You can request a quote for ChemDiv1_028602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028602?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.