3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester
TL;DR: 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester (CAS 517870-16-5) is a chemical compound with molecular formula C11H8FNO3 and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate
Also Known As: methyl 5-(4-fluorophenyl)isoxazole-3-carboxylate, methyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate, EINECS 257-420-4, BAS 06491649, methyl5-(4-fluorophenyl)isoxazole-3-carboxylate
| Molecular Formula | C11H8FNO3 |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.2673 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.04883 |
| Heavy Atoms | 16 |
| Complexity | 504.20316 |
Chemical Identifiers
| CAS Number | 517870-16-5 |
|---|---|
| SMILES | COC(=O)C1=NOC(=C1)C2=CC=C(C=C2)F |
Product Overview
3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester (CAS 517870-16-5), with molecular formula C11H8FNO3 and molecular weight 221.05 g/mol. IUPAC: methyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate.
Chemical Property Profile of 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester
Property Insights of 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester
The XLogP value of 2.2673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester. With a topological polar surface area (TPSA) of 52.33 Ų, 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester 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 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester?
The CAS number of 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester is 517870-16-5.
What is the molecular formula of 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester?
The molecular formula of 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester is C11H8FNO3.
What is the molecular weight of 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester?
The molecular weight of 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester is 221.05 g/mol.
Where can I buy 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester?
You can request a quote for 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.