ChemDiv1_002057
TL;DR: ChemDiv1_002057 (CAS 213203-95-3) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: ChemDiv1_002057, AB00684124-01, F0291-0442, 4-ethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 4-ethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.08578 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 1190.8318 |
Chemical Identifiers
| CAS Number | 213203-95-3 |
|---|---|
| SMILES | CCC1=C(C(=NC2=C1CCC2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N |
Product Overview
ChemDiv1_002057 (CAS 213203-95-3), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: 4-ethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_002057
Property Insights of ChemDiv1_002057
The XLogP value of 4.08578 indicates that ChemDiv1_002057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002057. Following Lipinski's Rule of Five, ChemDiv1_002057 has 0 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_002057?
The CAS number of ChemDiv1_002057 is 213203-95-3.
What is the molecular formula of ChemDiv1_002057?
The molecular formula of ChemDiv1_002057 is C22H18N2O3S.
What is the molecular weight of ChemDiv1_002057?
The molecular weight of ChemDiv1_002057 is 390.10 g/mol.
Where can I buy ChemDiv1_002057?
You can request a quote for ChemDiv1_002057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002057?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.