5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole
TL;DR: 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole (CAS 196877-76-6) is a chemical compound with molecular formula C11H10BrNO2 and molecular weight 266.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole
Also Known As: 5-(bromomethyl)-3-(4-methoxyphenyl)isoxazole, 5-(bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole, 2-bromothieno[3,2-c]pyridin-4(5H)-one, 5-Bromomethyl-3-(4-methoxyphenyl)-isoxazole, Isoxazole, 5-(bromomethyl)-3-(4-methoxyphenyl)-
| Molecular Formula | C11H10BrNO2 |
|---|---|
| Molecular Weight | 266.99 g/mol |
| LogP | 3.2451 |
| Topological Polar Surface Area | 35.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.9895 |
| Heavy Atoms | 15 |
| Complexity | 436.10352 |
Chemical Identifiers
| CAS Number | 196877-76-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NOC(=C2)CBr |
Product Overview
5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole (CAS 196877-76-6), with molecular formula C11H10BrNO2 and molecular weight 266.99 g/mol. IUPAC: 5-(bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole.
Chemical Property Profile of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole
Property Insights of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole
The XLogP value of 3.2451 indicates that 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.26 Ų, 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole 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 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole?
The CAS number of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole is 196877-76-6.
What is the molecular formula of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole?
The molecular formula of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole is C11H10BrNO2.
What is the molecular weight of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole?
The molecular weight of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole is 266.99 g/mol.
Where can I buy 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole?
You can request a quote for 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole 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-(4-methoxyphenyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.