A0439/0020337
TL;DR: A0439/0020337 (CAS 328072-59-9) is a chemical compound with molecular formula C25H23FN4O3S and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: A0439/0020337, ethyl 6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-6-ethyl-5-methylpyridin-2-yl)thio)methyl)-4-(3-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C25H23FN4O3S |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 4.38038 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.1475 |
| Heavy Atoms | 34 |
| Complexity | 1273.8975 |
Chemical Identifiers
| CAS Number | 328072-59-9 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F)C(=O)OCC |
Product Overview
A0439/0020337 (CAS 328072-59-9), with molecular formula C25H23FN4O3S and molecular weight 478.15 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of A0439/0020337
Property Insights of A0439/0020337
The XLogP value of 4.38038 indicates that A0439/0020337 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 A0439/0020337. Following Lipinski's Rule of Five, A0439/0020337 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 A0439/0020337?
The CAS number of A0439/0020337 is 328072-59-9.
What is the molecular formula of A0439/0020337?
The molecular formula of A0439/0020337 is C25H23FN4O3S.
What is the molecular weight of A0439/0020337?
The molecular weight of A0439/0020337 is 478.15 g/mol.
Where can I buy A0439/0020337?
You can request a quote for A0439/0020337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0439/0020337?
Yes, KEHONG BIO provides custom synthesis services for A0439/0020337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.