ChemDiv1_028696
TL;DR: ChemDiv1_028696 (CAS 384357-39-5) is a chemical compound with molecular formula C26H27N3O3S2 and molecular weight 493.15 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-(2,4,6-trimethylanilino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028696, allyl 5-cyano-6-((2-(mesitylamino)-2-oxoethyl)thio)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, PROP-2-EN-1-YL 5-CYANO-2-METHYL-4-(THIOPHEN-2-YL)-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, prop-2-en-1-yl 5-cyano-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H27N3O3S2 |
|---|---|
| Molecular Weight | 493.15 g/mol |
| LogP | 5.47044 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.14938 |
| Heavy Atoms | 34 |
| Complexity | 1197.4059 |
Chemical Identifiers
| CAS Number | 384357-39-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CS3)C#N)C |
Product Overview
ChemDiv1_028696 (CAS 384357-39-5), with molecular formula C26H27N3O3S2 and molecular weight 493.15 g/mol. IUPAC: prop-2-enyl 5-cyano-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028696
Property Insights of ChemDiv1_028696
The XLogP value of 5.47044 indicates that ChemDiv1_028696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028696. Following Lipinski's Rule of Five, ChemDiv1_028696 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_028696?
The CAS number of ChemDiv1_028696 is 384357-39-5.
What is the molecular formula of ChemDiv1_028696?
The molecular formula of ChemDiv1_028696 is C26H27N3O3S2.
What is the molecular weight of ChemDiv1_028696?
The molecular weight of ChemDiv1_028696 is 493.15 g/mol.
Where can I buy ChemDiv1_028696?
You can request a quote for ChemDiv1_028696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028696?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.