3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
TL;DR: 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate (CAS 80862-31-3) is a chemical compound with molecular formula C7H4BrN3O2 and molecular weight 240.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)oxatriazol-3-ium-5-olate
Also Known As: 3-(4-bromophenyl)oxatriazol-3-ium-5-olate, 3-(4-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate, 3-(4-bromophenyl)-1,2,3,4-oxatriazol-5-ol, 3-(4-bromophenyl)-2H-oxatriazol-3-ium-5-one, A0172/0007743
| Molecular Formula | C7H4BrN3O2 |
|---|---|
| Molecular Weight | 240.95 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.94868 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 80862-31-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+]2=NOC(=N2)[O-])Br |
| InChIKey | HNKGNCIIXYRYKJ-UHFFFAOYSA-N |
Product Overview
3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate (CAS 80862-31-3), with molecular formula C7H4BrN3O2 and molecular weight 240.95 g/mol. IUPAC: 3-(4-bromophenyl)oxatriazol-3-ium-5-olate.
Chemical Property Profile of 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
Property Insights of 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
The XLogP value of 3.9 indicates that 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate has 0 hydrogen bond donor(s) and 4 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-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
The CAS number of 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate is 80862-31-3.
What is the molecular formula of 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
The molecular formula of 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate is C7H4BrN3O2.
What is the molecular weight of 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
The molecular weight of 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate is 240.95 g/mol.
Where can I buy 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
You can request a quote for 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.