4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-
TL;DR: 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- (CAS 17669-30-6) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-phenyl-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate
Also Known As: dimethyl 3-phenyl-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate, 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-, 2-Isoxazoline-4,5-dicarboxylic acid, 3-phenyl-, dimethyl ester, cis-, 3-Phenyl-4,5-dihydroisoxazole-4,5-di(carboxylic acid methyl) ester, 4,5-Dihydro-3-phenylisoxazole-4,5-dicarboxylic acid dimethyl ester
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 17669-30-6 |
|---|---|
| SMILES | COC(=O)C1C(ON=C1C2=CC=CC=C2)C(=O)OC |
| InChIKey | RZUSIVILFUXVKH-UHFFFAOYSA-N |
Product Overview
4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- (CAS 17669-30-6), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: dimethyl 3-phenyl-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate.
Chemical Property Profile of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-
Property Insights of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-. Following Lipinski's Rule of Five, 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- 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 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-?
The CAS number of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- is 17669-30-6.
What is the molecular formula of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-?
The molecular formula of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- is C13H13NO5.
What is the molecular weight of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-?
The molecular weight of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- is 263.08 g/mol.
Where can I buy 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-?
You can request a quote for 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.