Butanedioic acid, 2,3-dimethyl-, dimethyl ester
TL;DR: Butanedioic acid, 2,3-dimethyl-, dimethyl ester (CAS 28306-68-5) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,3-dimethylbutanedioate
Also Known As: Dimethyl 2,3-dimethylsuccinate, dimethyl-2,3-dimethyl succinate, dimethyl 2,3-dimethylbutanedioate, Dimethyl 2,3-dimethylsuccinate #, 2,3-Dimethylsuccinic acid dimethyl
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 28306-68-5 |
|---|---|
| SMILES | CC(C(C)C(=O)OC)C(=O)OC |
| InChIKey | MWWSWNCJAAQPLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 2,3-dimethyl-, dimethyl ester (CAS 28306-68-5), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: dimethyl 2,3-dimethylbutanedioate.
Chemical Property Profile of Butanedioic acid, 2,3-dimethyl-, dimethyl ester
Property Insights of Butanedioic acid, 2,3-dimethyl-, dimethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2,3-dimethyl-, dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, 2,3-dimethyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 2,3-dimethyl-, dimethyl ester has 0 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 Butanedioic acid, 2,3-dimethyl-, dimethyl ester?
The CAS number of Butanedioic acid, 2,3-dimethyl-, dimethyl ester is 28306-68-5.
What is the molecular formula of Butanedioic acid, 2,3-dimethyl-, dimethyl ester?
The molecular formula of Butanedioic acid, 2,3-dimethyl-, dimethyl ester is C8H14O4.
What is the molecular weight of Butanedioic acid, 2,3-dimethyl-, dimethyl ester?
The molecular weight of Butanedioic acid, 2,3-dimethyl-, dimethyl ester is 174.09 g/mol.
Where can I buy Butanedioic acid, 2,3-dimethyl-, dimethyl ester?
You can request a quote for Butanedioic acid, 2,3-dimethyl-, 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, 2,3-dimethyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2,3-dimethyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.