4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium
TL;DR: 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium (CAS 175609-20-8) 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-(bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium
Also Known As: 4-bromomethylbenzofuroxan, 4-(bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium, 2-(bromomethyl)-7-oxido-8-oxa-9-aza-7-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraene
| Molecular Formula | C7H5BrN2O2 |
|---|---|
| Molecular Weight | 227.95 g/mol |
| LogP | 1.3561 |
| Topological Polar Surface Area | 52.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.95345 |
| Heavy Atoms | 12 |
| Complexity | 412.6986 |
Chemical Identifiers
| CAS Number | 175609-20-8 |
|---|---|
| SMILES | C1=CC2=[N+](ON=C2C(=C1)CBr)[O-] |
Product Overview
4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium (CAS 175609-20-8), with molecular formula C7H5BrN2O2 and molecular weight 227.95 g/mol. IUPAC: 4-(bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium.
Chemical Property Profile of 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium
Property Insights of 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium
The XLogP value of 1.3561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium. With a topological polar surface area (TPSA) of 52.97 Ų, 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium 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-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium?
The CAS number of 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium is 175609-20-8.
What is the molecular formula of 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium?
The molecular formula of 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium is C7H5BrN2O2.
What is the molecular weight of 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium?
The molecular weight of 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium is 227.95 g/mol.
Where can I buy 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium?
You can request a quote for 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.