Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate
TL;DR: Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate (CAS 267651-85-4) is a chemical compound with molecular formula C11H8BrNO3 and molecular weight 280.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-bromophenyl)-1,2-oxazole-4-carboxylate
Also Known As: METHYL 3-(3-BROMOPHENYL)ISOXAZOLE-4-CARBOXYLATE, Methyl 3-(3-bromophenyl)-1,2-oxazole-4-carboxylate, CHEMBRDG-BB 5792788, J1.286.606B, Methyl3-(3-bromophenyl)isoxazole-4-carboxylate
| Molecular Formula | C11H8BrNO3 |
|---|---|
| Molecular Weight | 280.97 g/mol |
| LogP | 2.8907 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.96875 |
| Heavy Atoms | 16 |
| Complexity | 521.4532 |
Chemical Identifiers
| CAS Number | 267651-85-4 |
|---|---|
| SMILES | COC(=O)C1=CON=C1C2=CC(=CC=C2)Br |
Product Overview
Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate (CAS 267651-85-4), with molecular formula C11H8BrNO3 and molecular weight 280.97 g/mol. IUPAC: methyl 3-(3-bromophenyl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate
Property Insights of Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate
The XLogP value of 2.8907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate 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 Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate?
The CAS number of Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate is 267651-85-4.
What is the molecular formula of Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate?
The molecular formula of Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate is C11H8BrNO3.
What is the molecular weight of Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate?
The molecular weight of Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate is 280.97 g/mol.
Where can I buy Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate?
You can request a quote for Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-bromophenyl)isoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.