4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester
TL;DR: 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester (CAS 606102-49-2) is a chemical compound with molecular formula C20H24N2O5 and molecular weight 372.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
Also Known As: 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester, [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate, 3,5-Dimethyl-isoxazole-4-carboxylic acid cyclopentylcarbamoyl-(4-methoxy-phenyl)-methyl ester, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl ester (9CI), 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethylester(9CI)
| Molecular Formula | C20H24N2O5 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.16852 |
| Heavy Atoms | 27 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 606102-49-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(=O)OC(C2=CC=C(C=C2)OC)C(=O)NC3CCCC3 |
| InChIKey | JVEZGZDIMGISPJ-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester (CAS 606102-49-2), with molecular formula C20H24N2O5 and molecular weight 372.17 g/mol. IUPAC: [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester
Property Insights of 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester
The XLogP value of 3.3 indicates that 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester 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 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester?
The CAS number of 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester is 606102-49-2.
What is the molecular formula of 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester?
The molecular formula of 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester is C20H24N2O5.
What is the molecular weight of 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester?
The molecular weight of 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester is 372.17 g/mol.
Where can I buy 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester?
You can request a quote for 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -1- -2-oxoethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.