ChemDiv1_010876
TL;DR: ChemDiv1_010876 (CAS 339187-36-9) 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-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010876, A0439/0020344, ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)methyl)-4-(3-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C25H23FN4O3S |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 4.43482 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.1475 |
| Heavy Atoms | 34 |
| Complexity | 1304.4597 |
Chemical Identifiers
| CAS Number | 339187-36-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)F)C#N)N)CSC3=C(C(=C(C(=N3)C)C)C)C#N |
Product Overview
ChemDiv1_010876 (CAS 339187-36-9), with molecular formula C25H23FN4O3S and molecular weight 478.15 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010876
Property Insights of ChemDiv1_010876
The XLogP value of 4.43482 indicates that ChemDiv1_010876 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_010876. Following Lipinski's Rule of Five, ChemDiv1_010876 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_010876?
The CAS number of ChemDiv1_010876 is 339187-36-9.
What is the molecular formula of ChemDiv1_010876?
The molecular formula of ChemDiv1_010876 is C25H23FN4O3S.
What is the molecular weight of ChemDiv1_010876?
The molecular weight of ChemDiv1_010876 is 478.15 g/mol.
Where can I buy ChemDiv1_010876?
You can request a quote for ChemDiv1_010876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010876?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.