Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester
TL;DR: Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester (CAS 606102-36-7) is a chemical compound with molecular formula C17H17FN2O4 and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate
Also Known As: ASN 06744289, Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester, 2-(Cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl isoxazole-5-carboxylate, [2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate, 2-(Cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl 1,2-oxazole-5-carboxylate
| Molecular Formula | C17H17FN2O4 |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.11725 |
| Heavy Atoms | 24 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 606102-36-7 |
|---|---|
| SMILES | C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)F)OC(=O)C3=CC=NO3 |
| InChIKey | VWIJIDVHLUNFDZ-UHFFFAOYSA-N |
Product Overview
Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester (CAS 606102-36-7), with molecular formula C17H17FN2O4 and molecular weight 332.12 g/mol. IUPAC: [2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate.
Chemical Property Profile of Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester
Property Insights of Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester
The XLogP value of 3.0 indicates that Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester. Following Lipinski's Rule of Five, Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester has 1 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 Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester?
The CAS number of Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester is 606102-36-7.
What is the molecular formula of Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester?
The molecular formula of Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester is C17H17FN2O4.
What is the molecular weight of Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester?
The molecular weight of Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester is 332.12 g/mol.
Where can I buy Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester?
You can request a quote for Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.