BAS 06591213
TL;DR: BAS 06591213 (CAS 496023-52-0) is a chemical compound with molecular formula C13H12N4OS2 and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 06591213, AF-399/41111213, 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide, 2-((5-(p-Tolyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide, 2-(5-p-Tolyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-acetamide
| Molecular Formula | C13H12N4OS2 |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 2.34362 |
| Topological Polar Surface Area | 73.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.04526 |
| Heavy Atoms | 20 |
| Complexity | 760.37305 |
Chemical Identifiers
| CAS Number | 496023-52-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)N |
Product Overview
BAS 06591213 (CAS 496023-52-0), with molecular formula C13H12N4OS2 and molecular weight 304.05 g/mol. IUPAC: 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 06591213
Property Insights of BAS 06591213
The XLogP value of 2.34362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06591213. The TPSA of 73.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06591213. Following Lipinski's Rule of Five, BAS 06591213 has 1 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 BAS 06591213?
The CAS number of BAS 06591213 is 496023-52-0.
What is the molecular formula of BAS 06591213?
The molecular formula of BAS 06591213 is C13H12N4OS2.
What is the molecular weight of BAS 06591213?
The molecular weight of BAS 06591213 is 304.05 g/mol.
Where can I buy BAS 06591213?
You can request a quote for BAS 06591213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06591213?
Yes, KEHONG BIO provides custom synthesis services for BAS 06591213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.