ChemDiv1_010744
TL;DR: ChemDiv1_010744 (CAS 339187-33-6) is a chemical compound with molecular formula C26H26N4O4S and molecular weight 490.17 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-(2-methoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010744, A0439/0020340, ethyl 6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-6-ethyl-5-methylpyridin-2-yl)thio)methyl)-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C26H26N4O4S |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 4.24988 |
| Topological Polar Surface Area | 131.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.16748 |
| Heavy Atoms | 35 |
| Complexity | 1287.2325 |
Chemical Identifiers
| CAS Number | 339187-33-6 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC)C(=O)OCC |
Product Overview
ChemDiv1_010744 (CAS 339187-33-6), with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanylmethyl]-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010744
Property Insights of ChemDiv1_010744
The XLogP value of 4.24988 indicates that ChemDiv1_010744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010744. Following Lipinski's Rule of Five, ChemDiv1_010744 has 1 hydrogen bond donor(s) and 9 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_010744?
The CAS number of ChemDiv1_010744 is 339187-33-6.
What is the molecular formula of ChemDiv1_010744?
The molecular formula of ChemDiv1_010744 is C26H26N4O4S.
What is the molecular weight of ChemDiv1_010744?
The molecular weight of ChemDiv1_010744 is 490.17 g/mol.
Where can I buy ChemDiv1_010744?
You can request a quote for ChemDiv1_010744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010744?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.