ChemDiv1_008491
TL;DR: ChemDiv1_008491 (CAS 402953-72-4) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_008491, A2709/0115289, ethyl 5'-cyano-6'-(ethylthio)-2'-phenyl-1',4'-dihydro-3,4'-bipyridine-3'-carboxylate, ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate, ETHYL 5'-CYANO-6'-(ETHYLSULFANYL)-2'-PHENYL-1',4'-DIHYDRO-[3,4'-BIPYRIDINE]-3'-CARBOXYLATE
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 4.23108 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 946.7521 |
Chemical Identifiers
| CAS Number | 402953-72-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC)C3=CC=CC=C3 |
Product Overview
ChemDiv1_008491 (CAS 402953-72-4), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_008491
Property Insights of ChemDiv1_008491
The XLogP value of 4.23108 indicates that ChemDiv1_008491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008491. Following Lipinski's Rule of Five, ChemDiv1_008491 has 1 hydrogen bond donor(s) and 6 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_008491?
The CAS number of ChemDiv1_008491 is 402953-72-4.
What is the molecular formula of ChemDiv1_008491?
The molecular formula of ChemDiv1_008491 is C22H21N3O2S.
What is the molecular weight of ChemDiv1_008491?
The molecular weight of ChemDiv1_008491 is 391.14 g/mol.
Where can I buy ChemDiv1_008491?
You can request a quote for ChemDiv1_008491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008491?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.