A0439/0020343
TL;DR: A0439/0020343 (CAS 328069-08-5) 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-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4H-pyran-3-carboxylate
Also Known As: A0439/0020343, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
| Molecular Formula | C25H23ClN4O3S |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 4.94912 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.11795 |
| Heavy Atoms | 34 |
| Complexity | 1304.4597 |
Chemical Identifiers
| CAS Number | 328069-08-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Cl)C#N)N)CSC3=C(C(=C(C(=N3)C)C)C)C#N |
Product Overview
A0439/0020343 (CAS 328069-08-5), with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol. IUPAC: ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of A0439/0020343
Property Insights of A0439/0020343
The XLogP value of 4.94912 indicates that A0439/0020343 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 A0439/0020343. Following Lipinski's Rule of Five, A0439/0020343 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 A0439/0020343?
The CAS number of A0439/0020343 is 328069-08-5.
What is the molecular formula of A0439/0020343?
The molecular formula of A0439/0020343 is C25H23ClN4O3S.
What is the molecular weight of A0439/0020343?
The molecular weight of A0439/0020343 is 494.12 g/mol.
Where can I buy A0439/0020343?
You can request a quote for A0439/0020343 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0439/0020343?
Yes, KEHONG BIO provides custom synthesis services for A0439/0020343 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.