4-Bromo-5-methoxy-2,1,3-benzoxadiazole
TL;DR: 4-Bromo-5-methoxy-2,1,3-benzoxadiazole (CAS 4413-55-2) is a chemical compound with molecular formula C7H5BrN2O2 and molecular weight 227.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-methoxy-2,1,3-benzoxadiazole
Also Known As: Benzofurazan, 4-bromo-5-methoxy-, 4-Bromo-5-methoxy-2,1,3-benzoxadiazole, 4-Bromo-5-methoxybenzofurazane, 4-Bromo-5-methoxy-2,1,3-benzoxadiazole #
| Molecular Formula | C7H5BrN2O2 |
|---|---|
| Molecular Weight | 227.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.95345 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 4413-55-2 |
|---|---|
| SMILES | COC1=C(C2=NON=C2C=C1)Br |
| InChIKey | DRCJBGMMJMWPJR-UHFFFAOYSA-N |
Product Overview
4-Bromo-5-methoxy-2,1,3-benzoxadiazole (CAS 4413-55-2), with molecular formula C7H5BrN2O2 and molecular weight 227.95 g/mol. IUPAC: 4-bromo-5-methoxy-2,1,3-benzoxadiazole.
Chemical Property Profile of 4-Bromo-5-methoxy-2,1,3-benzoxadiazole
Property Insights of 4-Bromo-5-methoxy-2,1,3-benzoxadiazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-methoxy-2,1,3-benzoxadiazole. With a topological polar surface area (TPSA) of 48.2 Ų, 4-Bromo-5-methoxy-2,1,3-benzoxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5-methoxy-2,1,3-benzoxadiazole 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 4-Bromo-5-methoxy-2,1,3-benzoxadiazole?
The CAS number of 4-Bromo-5-methoxy-2,1,3-benzoxadiazole is 4413-55-2.
What is the molecular formula of 4-Bromo-5-methoxy-2,1,3-benzoxadiazole?
The molecular formula of 4-Bromo-5-methoxy-2,1,3-benzoxadiazole is C7H5BrN2O2.
What is the molecular weight of 4-Bromo-5-methoxy-2,1,3-benzoxadiazole?
The molecular weight of 4-Bromo-5-methoxy-2,1,3-benzoxadiazole is 227.95 g/mol.
Where can I buy 4-Bromo-5-methoxy-2,1,3-benzoxadiazole?
You can request a quote for 4-Bromo-5-methoxy-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-5-methoxy-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-methoxy-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.