ChemDiv1_009336
TL;DR: ChemDiv1_009336 (CAS 375835-86-2) is a chemical compound with molecular formula C22H17N3O2S2 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-naphthalen-2-ylacetamide
Also Known As: ChemDiv1_009336, BAS 02876758, AE-848/15115141, 2-((3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-2-yl)acetamide, 2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(naphthalen-2-yl)acetamide
| Molecular Formula | C22H17N3O2S2 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 4.61188 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.07623 |
| Heavy Atoms | 29 |
| Complexity | 1146.3287 |
Chemical Identifiers
| CAS Number | 375835-86-2 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=CC3=CC=CC=C3C=C2)C#N)C4=CC=CS4 |
Product Overview
ChemDiv1_009336 (CAS 375835-86-2), with molecular formula C22H17N3O2S2 and molecular weight 419.08 g/mol. IUPAC: 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-naphthalen-2-ylacetamide.
Chemical Property Profile of ChemDiv1_009336
Property Insights of ChemDiv1_009336
The XLogP value of 4.61188 indicates that ChemDiv1_009336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009336. Following Lipinski's Rule of Five, ChemDiv1_009336 has 2 hydrogen bond donor(s) and 5 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_009336?
The CAS number of ChemDiv1_009336 is 375835-86-2.
What is the molecular formula of ChemDiv1_009336?
The molecular formula of ChemDiv1_009336 is C22H17N3O2S2.
What is the molecular weight of ChemDiv1_009336?
The molecular weight of ChemDiv1_009336 is 419.08 g/mol.
Where can I buy ChemDiv1_009336?
You can request a quote for ChemDiv1_009336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009336?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.