3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate
TL;DR: 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate (CAS 433259-67-7) is a chemical compound with molecular formula C10H10BrN5O2 and molecular weight 311.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)methyl 2-(5-aminotetrazol-1-yl)acetate
Also Known As: 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate, 3-bromobenzyl 2-(5-amino-1H-tetrazol-1-yl)acetate, 3-Bromobenzyl (5-amino-1H-tetraazol-1-yl)acetate #, (3-bromophenyl)methyl 2-(5-aminotetrazol-1-yl)acetate, (5-Amino-tetrazol-1-yl)-acetic acid 3-bromo-benzyl ester
| Molecular Formula | C10H10BrN5O2 |
|---|---|
| Molecular Weight | 311.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.0018 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 433259-67-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)COC(=O)CN2C(=NN=N2)N |
| InChIKey | VIJUDDFYNYYMPQ-UHFFFAOYSA-N |
Product Overview
3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate (CAS 433259-67-7), with molecular formula C10H10BrN5O2 and molecular weight 311.00 g/mol. IUPAC: (3-bromophenyl)methyl 2-(5-aminotetrazol-1-yl)acetate.
Chemical Property Profile of 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate
Property Insights of 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate. Following Lipinski's Rule of Five, 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate has 1 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 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate?
The CAS number of 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate is 433259-67-7.
What is the molecular formula of 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate?
The molecular formula of 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate is C10H10BrN5O2.
What is the molecular weight of 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate?
The molecular weight of 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate is 311.00 g/mol.
Where can I buy 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate?
You can request a quote for 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-bromobenzyl (5-amino-1H-tetrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.