5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester
TL;DR: 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester (CAS 27023-72-9) is a chemical compound with molecular formula C11H9FN2O3 and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-3-pyridinyl)methyl 3-methyl-1,2-oxazole-5-carboxylate
Also Known As: (5-fluoropyridin-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate, 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester, (5-Fluoro-3-pyridinyl)methyl 3-methyl-5-isoxazolecarboxylate, (5-Fluoropyridin-3-yl)methyl 3-methylisoxazole-5-carboxylate, 5-Fluor-3-methylpyridyl-3'-methyl-5'-isoxazolcarbonat
| Molecular Formula | C11H9FN2O3 |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.05972 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 27023-72-9 |
|---|---|
| SMILES | CC1=NOC(=C1)C(=O)OCC2=CC(=CN=C2)F |
| InChIKey | VRLSYDOCTNADON-UHFFFAOYSA-N |
Product Overview
5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester (CAS 27023-72-9), with molecular formula C11H9FN2O3 and molecular weight 236.06 g/mol. IUPAC: (5-fluoro-3-pyridinyl)methyl 3-methyl-1,2-oxazole-5-carboxylate.
Chemical Property Profile of 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester
Property Insights of 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester. Following Lipinski's Rule of Five, 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester has 0 hydrogen bond donor(s) and 6 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-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester?
The CAS number of 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester is 27023-72-9.
What is the molecular formula of 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester?
The molecular formula of 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester is C11H9FN2O3.
What is the molecular weight of 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester?
The molecular weight of 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester is 236.06 g/mol.
Where can I buy 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester?
You can request a quote for 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.