A3452/0146604
TL;DR: A3452/0146604 (CAS 696639-41-5) is a chemical compound with molecular formula C23H17N5OS2 and molecular weight 443.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide
Also Known As: A3452/0146604, 2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(quinolin-4-yl)acetamide, 2-((4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(quinolin-4-yl)acetamide, 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide, 2-{[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}-N-4-quinolinylacetamide
| Molecular Formula | C23H17N5OS2 |
|---|---|
| Molecular Weight | 443.09 g/mol |
| LogP | 5.2748 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.08746 |
| Heavy Atoms | 31 |
| Complexity | 1327.6323 |
Chemical Identifiers
| CAS Number | 696639-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=NC4=CC=CC=C43)C5=CC=CS5 |
Product Overview
A3452/0146604 (CAS 696639-41-5), with molecular formula C23H17N5OS2 and molecular weight 443.09 g/mol. IUPAC: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide.
Chemical Property Profile of A3452/0146604
Property Insights of A3452/0146604
The XLogP value of 5.2748 indicates that A3452/0146604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A3452/0146604. Following Lipinski's Rule of Five, A3452/0146604 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3452/0146604?
The CAS number of A3452/0146604 is 696639-41-5.
What is the molecular formula of A3452/0146604?
The molecular formula of A3452/0146604 is C23H17N5OS2.
What is the molecular weight of A3452/0146604?
The molecular weight of A3452/0146604 is 443.09 g/mol.
Where can I buy A3452/0146604?
You can request a quote for A3452/0146604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3452/0146604?
Yes, KEHONG BIO provides custom synthesis services for A3452/0146604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.