ChemDiv1_028519
TL;DR: ChemDiv1_028519 (CAS 370856-36-3) is a chemical compound with molecular formula C25H25N3O5S and molecular weight 479.15 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-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028519, allyl 5-cyano-6-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, PROP-2-EN-1-YL 5-CYANO-6-({[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(FURAN-2-YL)-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, prop-2-en-1-yl 5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C25H25N3O5S |
|---|---|
| Molecular Weight | 479.15 g/mol |
| LogP | 4.47538 |
| Topological Polar Surface Area | 113.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 479.1515 |
| Heavy Atoms | 34 |
| Complexity | 1144.2139 |
Chemical Identifiers
| CAS Number | 370856-36-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CO3)C#N |
Product Overview
ChemDiv1_028519 (CAS 370856-36-3), with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol. IUPAC: prop-2-enyl 5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028519
Property Insights of ChemDiv1_028519
The XLogP value of 4.47538 indicates that ChemDiv1_028519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028519. Following Lipinski's Rule of Five, ChemDiv1_028519 has 2 hydrogen bond donor(s) and 8 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_028519?
The CAS number of ChemDiv1_028519 is 370856-36-3.
What is the molecular formula of ChemDiv1_028519?
The molecular formula of ChemDiv1_028519 is C25H25N3O5S.
What is the molecular weight of ChemDiv1_028519?
The molecular weight of ChemDiv1_028519 is 479.15 g/mol.
Where can I buy ChemDiv1_028519?
You can request a quote for ChemDiv1_028519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028519?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.