ChemDiv2_003238
TL;DR: ChemDiv2_003238 (CAS 202074-76-8) is a chemical compound with molecular formula C16H11ClN4OS and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-methylpyridine-3,5-dicarbonitrile
Also Known As: ChemDiv2_003238, BAS 01235405, 2-amino-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methylpyridine-3,5-dicarbonitrile, 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-methylpyridine-3,5-dicarbonitrile, 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-methylpyridine-3,5-dicarbonitrile
| Molecular Formula | C16H11ClN4OS |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0342 |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 202074-76-8 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)Cl)N)C#N |
| InChIKey | FGTYAFKIXRTJNG-UHFFFAOYSA-N |
Product Overview
ChemDiv2_003238 (CAS 202074-76-8), with molecular formula C16H11ClN4OS and molecular weight 342.03 g/mol. IUPAC: 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-methylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of ChemDiv2_003238
Property Insights of ChemDiv2_003238
The XLogP value of 3.7 indicates that ChemDiv2_003238 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003238. Following Lipinski's Rule of Five, ChemDiv2_003238 has 1 hydrogen bond donor(s) and 6 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 ChemDiv2_003238?
The CAS number of ChemDiv2_003238 is 202074-76-8.
What is the molecular formula of ChemDiv2_003238?
The molecular formula of ChemDiv2_003238 is C16H11ClN4OS.
What is the molecular weight of ChemDiv2_003238?
The molecular weight of ChemDiv2_003238 is 342.03 g/mol.
Where can I buy ChemDiv2_003238?
You can request a quote for ChemDiv2_003238 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003238?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003238 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.