ChemDiv1_028784
TL;DR: ChemDiv1_028784 (CAS 369395-17-5) is a chemical compound with molecular formula C20H18N4O3S3 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028784, AE-848/40938210, 5-Cyano-2-methyl-6-(thiazol-2-ylcarbamoylmethylsulfanyl)-4-thiophen-2-yl-1,4-dihydro-pyridine-3-carbo xylic acid allyl ester, allyl 5-cyano-2-methyl-6-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, allyl 5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
| Molecular Formula | C20H18N4O3S3 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 4.00168 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.0541 |
| Heavy Atoms | 30 |
| Complexity | 1034.0498 |
Chemical Identifiers
| CAS Number | 369395-17-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CS3)C(=O)OCC=C |
Product Overview
ChemDiv1_028784 (CAS 369395-17-5), with molecular formula C20H18N4O3S3 and molecular weight 458.05 g/mol. IUPAC: prop-2-enyl 5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028784
Property Insights of ChemDiv1_028784
The XLogP value of 4.00168 indicates that ChemDiv1_028784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028784. Following Lipinski's Rule of Five, ChemDiv1_028784 has 2 hydrogen bond donor(s) and 9 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_028784?
The CAS number of ChemDiv1_028784 is 369395-17-5.
What is the molecular formula of ChemDiv1_028784?
The molecular formula of ChemDiv1_028784 is C20H18N4O3S3.
What is the molecular weight of ChemDiv1_028784?
The molecular weight of ChemDiv1_028784 is 458.05 g/mol.
Where can I buy ChemDiv1_028784?
You can request a quote for ChemDiv1_028784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028784?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.