1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester
TL;DR: 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester (CAS 100033-14-5) is a chemical compound with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-bromo-1,2,4-benzotriazin-3-yl)acetate
Also Known As: ethyl 2-(7-bromo-1,2,4-benzotriazin-3-yl)acetate, 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester, ethyl 2-(7-bromobenzo[e]1,2,4-triazin-3-yl)acetate, Ethyl (7-bromo-1,2,4-benzotriazin-3-yl)acetate, (6-Amino-7-chloro-benzo[1,2,4]triazin-3-yl)-acetic acid ethyl ester
| Molecular Formula | C11H10BrN3O2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.99564 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 100033-14-5 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=C(C=C(C=C2)Br)N=N1 |
| InChIKey | KBMQAIJZUIFGPE-UHFFFAOYSA-N |
Product Overview
1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester (CAS 100033-14-5), with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol. IUPAC: ethyl 2-(7-bromo-1,2,4-benzotriazin-3-yl)acetate.
Chemical Property Profile of 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester
Property Insights of 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester. Following Lipinski's Rule of Five, 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester has 0 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 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester?
The CAS number of 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester is 100033-14-5.
What is the molecular formula of 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester?
The molecular formula of 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester is C11H10BrN3O2.
What is the molecular weight of 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester?
The molecular weight of 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester is 295.00 g/mol.
Where can I buy 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester?
You can request a quote for 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzotriazine-3-acetic acid, 7-bromo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.