BAS 04040391
TL;DR: BAS 04040391 (CAS 557072-69-2) is a chemical compound with molecular formula C17H18N4OS2 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 04040391, N-(4-ethylphenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-ethylphenyl)-2-((4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-ethylphenyl)-2-(4-methyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))acetamide, N-(4-ethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C17H18N4OS2 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.8368 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.0922 |
| Heavy Atoms | 24 |
| Complexity | 809.7455 |
Chemical Identifiers
| CAS Number | 557072-69-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3 |
Product Overview
BAS 04040391 (CAS 557072-69-2), with molecular formula C17H18N4OS2 and molecular weight 358.09 g/mol. IUPAC: N-(4-ethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04040391
Property Insights of BAS 04040391
The XLogP value of 3.8368 indicates that BAS 04040391 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 04040391 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04040391 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 04040391?
The CAS number of BAS 04040391 is 557072-69-2.
What is the molecular formula of BAS 04040391?
The molecular formula of BAS 04040391 is C17H18N4OS2.
What is the molecular weight of BAS 04040391?
The molecular weight of BAS 04040391 is 358.09 g/mol.
Where can I buy BAS 04040391?
You can request a quote for BAS 04040391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04040391?
Yes, KEHONG BIO provides custom synthesis services for BAS 04040391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.