5-(Bromomethyl)-3-phenylisoxazole
TL;DR: 5-(Bromomethyl)-3-phenylisoxazole (CAS 2039-50-1) is a chemical compound with molecular formula C10H8BrNO and molecular weight 236.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(bromomethyl)-3-phenyl-1,2-oxazole
Also Known As: 5-(Bromomethyl)-3-phenylisoxazole, 5-Bromomethyl-3-phenyl-isoxazole, 5-(bromomethyl)-3-phenyl-1,2-oxazole, 1,2-Dichloroglyoxime, Isoxazole, 5-(bromomethyl)-3-phenyl-
| Molecular Formula | C10H8BrNO |
|---|---|
| Molecular Weight | 236.98 g/mol |
| LogP | 3.2365 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.97893 |
| Heavy Atoms | 13 |
| Complexity | 382.8331 |
Chemical Identifiers
| CAS Number | 2039-50-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)CBr |
Product Overview
5-(Bromomethyl)-3-phenylisoxazole (CAS 2039-50-1), with molecular formula C10H8BrNO and molecular weight 236.98 g/mol. IUPAC: 5-(bromomethyl)-3-phenyl-1,2-oxazole.
Chemical Property Profile of 5-(Bromomethyl)-3-phenylisoxazole
Property Insights of 5-(Bromomethyl)-3-phenylisoxazole
The XLogP value of 3.2365 indicates that 5-(Bromomethyl)-3-phenylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 5-(Bromomethyl)-3-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Bromomethyl)-3-phenylisoxazole 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 5-(Bromomethyl)-3-phenylisoxazole?
The CAS number of 5-(Bromomethyl)-3-phenylisoxazole is 2039-50-1.
What is the molecular formula of 5-(Bromomethyl)-3-phenylisoxazole?
The molecular formula of 5-(Bromomethyl)-3-phenylisoxazole is C10H8BrNO.
What is the molecular weight of 5-(Bromomethyl)-3-phenylisoxazole?
The molecular weight of 5-(Bromomethyl)-3-phenylisoxazole is 236.98 g/mol.
Where can I buy 5-(Bromomethyl)-3-phenylisoxazole?
You can request a quote for 5-(Bromomethyl)-3-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Bromomethyl)-3-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bromomethyl)-3-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.