BAS 01157694
TL;DR: BAS 01157694 (CAS 332128-53-7) is a chemical compound with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: BAS 01157694, 2-((5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-nitrophenyl)acetamide, 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide, 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide, 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-(3-nitrophenyl)acetamide
| Molecular Formula | C17H15N5O4S |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | 3.1193 |
| Topological Polar Surface Area | 123.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.08447 |
| Heavy Atoms | 27 |
| Complexity | 957.9674 |
Chemical Identifiers
| CAS Number | 332128-53-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BAS 01157694 (CAS 332128-53-7), with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01157694
Property Insights of BAS 01157694
The XLogP value of 3.1193 indicates that BAS 01157694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157694. Following Lipinski's Rule of Five, BAS 01157694 has 2 hydrogen bond donor(s) and 7 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 01157694?
The CAS number of BAS 01157694 is 332128-53-7.
What is the molecular formula of BAS 01157694?
The molecular formula of BAS 01157694 is C17H15N5O4S.
What is the molecular weight of BAS 01157694?
The molecular weight of BAS 01157694 is 385.08 g/mol.
Where can I buy BAS 01157694?
You can request a quote for BAS 01157694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157694?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.