3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester
TL;DR: 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester (CAS 62619-47-0) is a chemical compound with molecular formula C10H17NO5 and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5,5-trimethyl-1,2-oxazolidine-3,3-dicarboxylate
Also Known As: 1,3,3-Trimethyl-5,5-methoxycarbonylisoxazolidine, dimethyl 2,5,5-trimethyl-1,2-oxazolidine-3,3-dicarboxylate, 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester, 1,3,3-Trimethyl-5,5-dimethoxycarbonylisoxazolidine, Dimethyl 2,5,5-trimethyl-3,3-isoxazolidinedicarboxylate
| Molecular Formula | C10H17NO5 |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.11067 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 62619-47-0 |
|---|---|
| SMILES | CC1(CC(N(O1)C)(C(=O)OC)C(=O)OC)C |
| InChIKey | IMOBTEYVVYLPTE-UHFFFAOYSA-N |
Product Overview
3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester (CAS 62619-47-0), with molecular formula C10H17NO5 and molecular weight 231.11 g/mol. IUPAC: dimethyl 2,5,5-trimethyl-1,2-oxazolidine-3,3-dicarboxylate.
Chemical Property Profile of 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester
Property Insights of 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester. Following Lipinski's Rule of Five, 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl 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 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester?
The CAS number of 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester is 62619-47-0.
What is the molecular formula of 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester?
The molecular formula of 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester is C10H17NO5.
What is the molecular weight of 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester?
The molecular weight of 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester is 231.11 g/mol.
Where can I buy 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester?
You can request a quote for 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Isoxazolidinedicarboxylic acid, 2,5,5-trimethyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.