Dimethyl 2-(5-isoxazolyl)succinate
TL;DR: Dimethyl 2-(5-isoxazolyl)succinate (CAS 477858-68-7) is a chemical compound with molecular formula C9H11NO5 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1,2-oxazol-5-yl)butanedioate
Also Known As: dimethyl 2-(5-isoxazolyl)succinate, 1,4-dimethyl 2-(1,2-oxazol-5-yl)butanedioate, dimethyl 2-(1,2-oxazol-5-yl)butanedioate, dimethyl 2-isoxazol-5-ylbutanedioate, 1,4-dimethyl2-(1,2-oxazol-5-yl)butanedioate
| Molecular Formula | C9H11NO5 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 0.4943 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.06372 |
| Heavy Atoms | 15 |
| Complexity | 332.2817 |
Chemical Identifiers
| CAS Number | 477858-68-7 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=NO1)C(=O)OC |
Product Overview
Dimethyl 2-(5-isoxazolyl)succinate (CAS 477858-68-7), with molecular formula C9H11NO5 and molecular weight 213.06 g/mol. IUPAC: dimethyl 2-(1,2-oxazol-5-yl)butanedioate.
Chemical Property Profile of Dimethyl 2-(5-isoxazolyl)succinate
Property Insights of Dimethyl 2-(5-isoxazolyl)succinate
The XLogP value of 0.4943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(5-isoxazolyl)succinate. The TPSA of 78.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(5-isoxazolyl)succinate. Following Lipinski's Rule of Five, Dimethyl 2-(5-isoxazolyl)succinate 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 Dimethyl 2-(5-isoxazolyl)succinate?
The CAS number of Dimethyl 2-(5-isoxazolyl)succinate is 477858-68-7.
What is the molecular formula of Dimethyl 2-(5-isoxazolyl)succinate?
The molecular formula of Dimethyl 2-(5-isoxazolyl)succinate is C9H11NO5.
What is the molecular weight of Dimethyl 2-(5-isoxazolyl)succinate?
The molecular weight of Dimethyl 2-(5-isoxazolyl)succinate is 213.06 g/mol.
Where can I buy Dimethyl 2-(5-isoxazolyl)succinate?
You can request a quote for Dimethyl 2-(5-isoxazolyl)succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(5-isoxazolyl)succinate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(5-isoxazolyl)succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.