5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid
TL;DR: 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid (CAS 491876-26-7) is a chemical compound with molecular formula C10H10BNO3 and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-3-phenyl-1,2-oxazol-4-yl)boronic acid
Also Known As: 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid, tert-Butyl cyanoacetate, (5-methyl-3-phenyl-1,2-oxazol-4-yl)boronic Acid, (5-METHYL-3-PHENYLISOXAZOL-4-YL)BORONIC ACID, (5-methyl-3-phenyl-isoxazol-4-yl)boronic acid
| Molecular Formula | C10H10BNO3 |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 0.32982 |
| Topological Polar Surface Area | 66.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.07538 |
| Heavy Atoms | 15 |
| Complexity | 452.94598 |
Chemical Identifiers
| CAS Number | 491876-26-7 |
|---|---|
| SMILES | B(C1=C(ON=C1C2=CC=CC=C2)C)(O)O |
Product Overview
5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid (CAS 491876-26-7), with molecular formula C10H10BNO3 and molecular weight 203.08 g/mol. IUPAC: (5-methyl-3-phenyl-1,2-oxazol-4-yl)boronic acid.
Chemical Property Profile of 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid
Property Insights of 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid
The XLogP value of 0.32982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid. The TPSA of 66.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid. Following Lipinski's Rule of Five, 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid has 2 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 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid?
The CAS number of 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid is 491876-26-7.
What is the molecular formula of 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid?
The molecular formula of 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid is C10H10BNO3.
What is the molecular weight of 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid?
The molecular weight of 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid is 203.08 g/mol.
Where can I buy 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid?
You can request a quote for 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-Phenyl-4-Isoxazolylboronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.