5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester
TL;DR: 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester (CAS 63535-54-6) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,5-trimethyl-1,2-oxazolidine-5-carboxylate
Also Known As: Methyl 3,3,5-trimethyl-5-isoxazolidinecarboxylate, methyl 3,3,5-trimethyl-1,2-oxazolidine-5-carboxylate, Methyl 3,3,5-trimethyl-5-isoxazolidinecarboxylate #, 3,3,5-trimethyl-isoxazolidine-5-carboxylic acid methyl ester, 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 63535-54-6 |
|---|---|
| SMILES | CC1(CC(ON1)(C)C(=O)OC)C |
| InChIKey | BNEJOJWGZFYRAP-UHFFFAOYSA-N |
Product Overview
5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester (CAS 63535-54-6), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: methyl 3,3,5-trimethyl-1,2-oxazolidine-5-carboxylate.
Chemical Property Profile of 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester
Property Insights of 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester. With a topological polar surface area (TPSA) of 47.6 Ų, 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester has 1 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-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester?
The CAS number of 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester is 63535-54-6.
What is the molecular formula of 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester?
The molecular formula of 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester is C8H15NO3.
What is the molecular weight of 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester?
The molecular weight of 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester is 173.11 g/mol.
Where can I buy 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester?
You can request a quote for 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, 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-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.