4-Bromo-2,1,3-benzoxadiazole
TL;DR: 4-Bromo-2,1,3-benzoxadiazole (CAS 35036-93-2) is a chemical compound with molecular formula C6H3BrN2O and molecular weight 197.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,1,3-benzoxadiazole
Also Known As: 4-bromobenzo[c][1,2,5]oxadiazole, 4-Bromo-2,1,3-benzoxadiazole, bromobenzofurazan, 4-bromo-2,1,3-benzoxodiazole, Benzofurazan, 4-bromo-
| Molecular Formula | C6H3BrN2O |
|---|---|
| Molecular Weight | 197.94 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.94289 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 35036-93-2 |
|---|---|
| SMILES | C1=CC2=NON=C2C(=C1)Br |
| InChIKey | FXQKWDMHOOXMRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2,1,3-benzoxadiazole (CAS 35036-93-2), with molecular formula C6H3BrN2O and molecular weight 197.94 g/mol. IUPAC: 4-bromo-2,1,3-benzoxadiazole.
Chemical Property Profile of 4-Bromo-2,1,3-benzoxadiazole
Property Insights of 4-Bromo-2,1,3-benzoxadiazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2,1,3-benzoxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, 4-Bromo-2,1,3-benzoxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,1,3-benzoxadiazole 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 4-Bromo-2,1,3-benzoxadiazole?
The CAS number of 4-Bromo-2,1,3-benzoxadiazole is 35036-93-2.
What is the molecular formula of 4-Bromo-2,1,3-benzoxadiazole?
The molecular formula of 4-Bromo-2,1,3-benzoxadiazole is C6H3BrN2O.
What is the molecular weight of 4-Bromo-2,1,3-benzoxadiazole?
The molecular weight of 4-Bromo-2,1,3-benzoxadiazole is 197.94 g/mol.
Where can I buy 4-Bromo-2,1,3-benzoxadiazole?
You can request a quote for 4-Bromo-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.