Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester
TL;DR: Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester (CAS 332383-70-7) is a chemical compound with molecular formula C17H14BrN3O4 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
Also Known As: BAS 01538416, Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester, 2-(3-bromo-4-methoxyphenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate, [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate, 2-(3-BROMO-4-METHOXYPHENYL)-2-OXOETHYL 1H-1,2,3-BENZOTRIAZOL-1-YLACETATE
| Molecular Formula | C17H14BrN3O4 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.01678 |
| Heavy Atoms | 25 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 332383-70-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=N2)Br |
| InChIKey | XHZJGWJNPLASDZ-UHFFFAOYSA-N |
Product Overview
Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester (CAS 332383-70-7), with molecular formula C17H14BrN3O4 and molecular weight 403.02 g/mol. IUPAC: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
Chemical Property Profile of Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester
Property Insights of Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester
The XLogP value of 3.2 indicates that Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester. Following Lipinski's Rule of Five, Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester has 0 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 Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester?
The CAS number of Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester is 332383-70-7.
What is the molecular formula of Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester?
The molecular formula of Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester is C17H14BrN3O4.
What is the molecular weight of Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester?
The molecular weight of Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester is 403.02 g/mol.
Where can I buy Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester?
You can request a quote for Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.