1,2-Benzisoxazole, 3-(bromomethyl)-
TL;DR: 1,2-Benzisoxazole, 3-(bromomethyl)- (CAS 37924-85-9) is a chemical compound with molecular formula C8H6BrNO and molecular weight 210.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-1,2-benzoxazole
Also Known As: 3-(bromomethyl)benzo[d]isoxazole, 3-(Bromomethyl)-1,2-benzisoxazole, 3-(bromomethyl)-1,2-benzoxazole, Allyl caproate, 3-Bromomethylbenzisoxazole
| Molecular Formula | C8H6BrNO |
|---|---|
| Molecular Weight | 210.96 g/mol |
| LogP | 2.7227 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.96329 |
| Heavy Atoms | 11 |
| Complexity | 368.8845 |
Chemical Identifiers
| CAS Number | 37924-85-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NO2)CBr |
Product Overview
1,2-Benzisoxazole, 3-(bromomethyl)- (CAS 37924-85-9), with molecular formula C8H6BrNO and molecular weight 210.96 g/mol. IUPAC: 3-(bromomethyl)-1,2-benzoxazole.
Chemical Property Profile of 1,2-Benzisoxazole, 3-(bromomethyl)-
Property Insights of 1,2-Benzisoxazole, 3-(bromomethyl)-
The XLogP value of 2.7227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoxazole, 3-(bromomethyl)-. With a topological polar surface area (TPSA) of 26.03 Ų, 1,2-Benzisoxazole, 3-(bromomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoxazole, 3-(bromomethyl)- has 0 hydrogen bond donor(s) and 2 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 1,2-Benzisoxazole, 3-(bromomethyl)-?
The CAS number of 1,2-Benzisoxazole, 3-(bromomethyl)- is 37924-85-9.
What is the molecular formula of 1,2-Benzisoxazole, 3-(bromomethyl)-?
The molecular formula of 1,2-Benzisoxazole, 3-(bromomethyl)- is C8H6BrNO.
What is the molecular weight of 1,2-Benzisoxazole, 3-(bromomethyl)-?
The molecular weight of 1,2-Benzisoxazole, 3-(bromomethyl)- is 210.96 g/mol.
Where can I buy 1,2-Benzisoxazole, 3-(bromomethyl)-?
You can request a quote for 1,2-Benzisoxazole, 3-(bromomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoxazole, 3-(bromomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazole, 3-(bromomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.