ChemDiv1_009428
TL;DR: ChemDiv1_009428 (CAS 384357-06-6) is a chemical compound with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_009428, methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, METHYL 6-({[(4-ACETYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-2-OXO-4-[4-(PROPAN-2-YL)PHENYL]-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-4-[4-(propan-2-yl)phenyl]-3,4-dihydropyridine-3-carboxylate, methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C27H27N3O5S |
|---|---|
| Molecular Weight | 505.17 g/mol |
| LogP | 4.12228 |
| Topological Polar Surface Area | 125.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.16714 |
| Heavy Atoms | 36 |
| Complexity | 1243.6654 |
Chemical Identifiers
| CAS Number | 384357-06-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C(=O)OC |
Product Overview
ChemDiv1_009428 (CAS 384357-06-6), with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol. IUPAC: methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_009428
Property Insights of ChemDiv1_009428
The XLogP value of 4.12228 indicates that ChemDiv1_009428 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009428. Following Lipinski's Rule of Five, ChemDiv1_009428 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009428?
The CAS number of ChemDiv1_009428 is 384357-06-6.
What is the molecular formula of ChemDiv1_009428?
The molecular formula of ChemDiv1_009428 is C27H27N3O5S.
What is the molecular weight of ChemDiv1_009428?
The molecular weight of ChemDiv1_009428 is 505.17 g/mol.
Where can I buy ChemDiv1_009428?
You can request a quote for ChemDiv1_009428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009428?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.