ChemDiv1_028573
TL;DR: ChemDiv1_028573 (CAS 369394-07-0) is a chemical compound with molecular formula C25H25N3O4S and molecular weight 463.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-6-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028573, allyl 5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, PROP-2-EN-1-YL 5-CYANO-6-({[(2-ETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(FURAN-2-YL)-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, prop-2-en-1-yl 5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-6-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C25H25N3O4S |
|---|---|
| Molecular Weight | 463.16 g/mol |
| LogP | 4.63908 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.1566 |
| Heavy Atoms | 33 |
| Complexity | 1142.6519 |
Chemical Identifiers
| CAS Number | 369394-07-0 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CO3)C#N |
Product Overview
ChemDiv1_028573 (CAS 369394-07-0), with molecular formula C25H25N3O4S and molecular weight 463.16 g/mol. IUPAC: prop-2-enyl 5-cyano-6-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028573
Property Insights of ChemDiv1_028573
The XLogP value of 4.63908 indicates that ChemDiv1_028573 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028573. Following Lipinski's Rule of Five, ChemDiv1_028573 has 2 hydrogen bond donor(s) and 7 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_028573?
The CAS number of ChemDiv1_028573 is 369394-07-0.
What is the molecular formula of ChemDiv1_028573?
The molecular formula of ChemDiv1_028573 is C25H25N3O4S.
What is the molecular weight of ChemDiv1_028573?
The molecular weight of ChemDiv1_028573 is 463.16 g/mol.
Where can I buy ChemDiv1_028573?
You can request a quote for ChemDiv1_028573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028573?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.