Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester
TL;DR: Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester (CAS 88481-53-2) is a chemical compound with molecular formula C11H20O6 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-ethoxyethoxy)-3-methylbutanedioate
Also Known As: dimethyl 2-(1-ethoxyethoxy)-3-methylbutanedioate, Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester, Dimethyl 2-(1-ethoxyethoxy)-3-methylsuccinate, Dimethyl 2-(1-ethoxyethoxy)-3-methylsuccinate #, Succioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester
| Molecular Formula | C11H20O6 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 248.12599 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 88481-53-2 |
|---|---|
| SMILES | CCOC(C)OC(C(C)C(=O)OC)C(=O)OC |
| InChIKey | QSESCNHNFQVCBJ-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester (CAS 88481-53-2), with molecular formula C11H20O6 and molecular weight 248.13 g/mol. IUPAC: dimethyl 2-(1-ethoxyethoxy)-3-methylbutanedioate.
Chemical Property Profile of Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester
Property Insights of Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, 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 Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester?
The CAS number of Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester is 88481-53-2.
What is the molecular formula of Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester?
The molecular formula of Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester is C11H20O6.
What is the molecular weight of Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester?
The molecular weight of Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester is 248.13 g/mol.
Where can I buy Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester?
You can request a quote for Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-(1-ethoxyethoxy)-3-methyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.