BAS 04040571
TL;DR: BAS 04040571 (CAS 557072-84-1) is a chemical compound with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 04040571, N-(3-Methoxy-phenyl)-2-(4-methyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(3-methoxyphenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-methoxyphenyl)-2-((4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-methoxyphenyl)-2-(4-methyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))acetamid e
| Molecular Formula | C16H16N4O2S2 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.07147 |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 557072-84-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=CS3 |
| InChIKey | DUJROPQOWUUJIO-UHFFFAOYSA-N |
Product Overview
BAS 04040571 (CAS 557072-84-1), with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol. IUPAC: N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04040571
Property Insights of BAS 04040571
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04040571. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04040571. Following Lipinski's Rule of Five, BAS 04040571 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 BAS 04040571?
The CAS number of BAS 04040571 is 557072-84-1.
What is the molecular formula of BAS 04040571?
The molecular formula of BAS 04040571 is C16H16N4O2S2.
What is the molecular weight of BAS 04040571?
The molecular weight of BAS 04040571 is 360.07 g/mol.
Where can I buy BAS 04040571?
You can request a quote for BAS 04040571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04040571?
Yes, KEHONG BIO provides custom synthesis services for BAS 04040571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.