![N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/7130/713095-85-3.webp)
N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 713095-85-3) is a chemical compound with molecular formula C19H16BrN5OS2 and molecular weight 473.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-benzothiazol-2-yl)-2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-1,3-benzothiazol-2-yl-2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetamide
| Molecular Formula | C19H16BrN5OS2 |
|---|---|
| Molecular Weight | 473.00 g/mol |
| LogP | 5.068 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.99796 |
| Heavy Atoms | 28 |
| Complexity | 1090.024 |
Chemical Identifiers
| CAS Number | 713095-85-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br |
Product Overview
N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 713095-85-3), with molecular formula C19H16BrN5OS2 and molecular weight 473.00 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 5.068 indicates that N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide 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 N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide 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 N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 713095-85-3.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C19H16BrN5OS2.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 473.00 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.