ChemDiv3_001868
TL;DR: ChemDiv3_001868 (CAS 276253-86-2) is a chemical compound with molecular formula C19H21ClN2O2S and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv3_001868, IDI1_020834, A2369/0100145, BRD-A40254864-001-01-5, ethyl 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-propyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C19H21ClN2O2S |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 4.74228 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.10123 |
| Heavy Atoms | 25 |
| Complexity | 764.93274 |
Chemical Identifiers
| CAS Number | 276253-86-2 |
|---|---|
| SMILES | CCCC1=C(C(C(=C(N1)SC)C#N)C2=CC=CC=C2Cl)C(=O)OCC |
Product Overview
ChemDiv3_001868 (CAS 276253-86-2), with molecular formula C19H21ClN2O2S and molecular weight 376.10 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv3_001868
Property Insights of ChemDiv3_001868
The XLogP value of 4.74228 indicates that ChemDiv3_001868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001868. Following Lipinski's Rule of Five, ChemDiv3_001868 has 1 hydrogen bond donor(s) and 5 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 ChemDiv3_001868?
The CAS number of ChemDiv3_001868 is 276253-86-2.
What is the molecular formula of ChemDiv3_001868?
The molecular formula of ChemDiv3_001868 is C19H21ClN2O2S.
What is the molecular weight of ChemDiv3_001868?
The molecular weight of ChemDiv3_001868 is 376.10 g/mol.
Where can I buy ChemDiv3_001868?
You can request a quote for ChemDiv3_001868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001868?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.