![Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester structure](/static/products/832/832150-89-7.png)
Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester
TL;DR: Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester (CAS 832150-89-7) is a chemical compound with molecular formula C14H16BrN3O2S and molecular weight 369.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester, butyl 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate, Butyl {[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C14H16BrN3O2S |
|---|---|
| Molecular Weight | 369.01 g/mol |
| LogP | 3.6696 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.01465 |
| Heavy Atoms | 21 |
| Complexity | 603.41 |
Chemical Identifiers
| CAS Number | 832150-89-7 |
|---|---|
| SMILES | CCCCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br |
Product Overview
Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester (CAS 832150-89-7), with molecular formula C14H16BrN3O2S and molecular weight 369.01 g/mol. IUPAC: butyl 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester
Property Insights of Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester
The XLogP value of 3.6696 indicates that Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester. Following Lipinski's Rule of Five, Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester 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 Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester?
The CAS number of Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester is 832150-89-7.
What is the molecular formula of Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester?
The molecular formula of Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester is C14H16BrN3O2S.
What is the molecular weight of Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester?
The molecular weight of Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester is 369.01 g/mol.
Where can I buy Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester?
You can request a quote for Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.