ChemDiv1_008711
TL;DR: ChemDiv1_008711 (CAS 333959-12-9) is a chemical compound with molecular formula C21H14N4O2S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-hydroxyphenyl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
Also Known As: ChemDiv1_008711, UPCMLD0ENAT0505-5361:001, F0894-0093, 2-amino-4-(4-hydroxyphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3,5-dicarbonitrile, 2-amino-4-(4-hydroxyphenyl)-6-((2-oxo-2-phenylethyl)thio)pyridine-3,5-dicarbonitrile
| Molecular Formula | C21H14N4O2S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 3.75476 |
| Topological Polar Surface Area | 123.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.08374 |
| Heavy Atoms | 28 |
| Complexity | 1114.373 |
Chemical Identifiers
| CAS Number | 333959-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N |
Product Overview
ChemDiv1_008711 (CAS 333959-12-9), with molecular formula C21H14N4O2S and molecular weight 386.08 g/mol. IUPAC: 2-amino-4-(4-hydroxyphenyl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of ChemDiv1_008711
Property Insights of ChemDiv1_008711
The XLogP value of 3.75476 indicates that ChemDiv1_008711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008711. Following Lipinski's Rule of Five, ChemDiv1_008711 has 2 hydrogen bond donor(s) and 7 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_008711?
The CAS number of ChemDiv1_008711 is 333959-12-9.
What is the molecular formula of ChemDiv1_008711?
The molecular formula of ChemDiv1_008711 is C21H14N4O2S.
What is the molecular weight of ChemDiv1_008711?
The molecular weight of ChemDiv1_008711 is 386.08 g/mol.
Where can I buy ChemDiv1_008711?
You can request a quote for ChemDiv1_008711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008711?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.