ChemDiv1_010656
TL;DR: ChemDiv1_010656 (CAS 339187-31-4) is a chemical compound with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanylmethyl]-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010656, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate, A0439/0020338, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-6-ethyl-5-methylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
| Molecular Formula | C25H23ClN4O3S |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 4.89468 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.11795 |
| Heavy Atoms | 34 |
| Complexity | 1273.8975 |
Chemical Identifiers
| CAS Number | 339187-31-4 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)OCC |
Product Overview
ChemDiv1_010656 (CAS 339187-31-4), with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol. IUPAC: ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanylmethyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010656
Property Insights of ChemDiv1_010656
The XLogP value of 4.89468 indicates that ChemDiv1_010656 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010656. Following Lipinski's Rule of Five, ChemDiv1_010656 has 1 hydrogen bond donor(s) and 8 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_010656?
The CAS number of ChemDiv1_010656 is 339187-31-4.
What is the molecular formula of ChemDiv1_010656?
The molecular formula of ChemDiv1_010656 is C25H23ClN4O3S.
What is the molecular weight of ChemDiv1_010656?
The molecular weight of ChemDiv1_010656 is 494.12 g/mol.
Where can I buy ChemDiv1_010656?
You can request a quote for ChemDiv1_010656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010656?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.