3-(4-Bromophenyl)oxadiazol-3-ium-5-olate
TL;DR: 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate (CAS 26537-61-1) is a chemical compound with molecular formula C8H5BrN2O2 and molecular weight 239.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)oxadiazol-3-ium-5-olate
Also Known As: 3-(p-Bromophenyl)sydnone, N-(p-bromophenyl)sydnone, 3-(4-Bromophenyl)sydnone, Sydnone, 3-(p-bromophenyl)-, 3-(4-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate
| Molecular Formula | C8H5BrN2O2 |
|---|---|
| Molecular Weight | 239.95 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.95345 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 26537-61-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+]2=NOC(=C2)[O-])Br |
| InChIKey | SGLURXDGBWADBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Bromophenyl)oxadiazol-3-ium-5-olate (CAS 26537-61-1), with molecular formula C8H5BrN2O2 and molecular weight 239.95 g/mol. IUPAC: 3-(4-bromophenyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate
Property Insights of 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate
The XLogP value of 3.5 indicates that 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate has 0 hydrogen bond donor(s) and 3 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)oxadiazol-3-ium-5-olate?
The CAS number of 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate is 26537-61-1.
What is the molecular formula of 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate?
The molecular formula of 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate is C8H5BrN2O2.
What is the molecular weight of 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate?
The molecular weight of 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate is 239.95 g/mol.
Where can I buy 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate?
You can request a quote for 3-(4-Bromophenyl)oxadiazol-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)oxadiazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)oxadiazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.