Dimethylpropanedioic acid dimethyl ester
TL;DR: Dimethylpropanedioic acid dimethyl ester (CAS 6065-54-9) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2-dimethylpropanedioate
Also Known As: Dimethyl 2,2-dimethylmalonate, 2,2-dimethyl-malonic acid dimethyl ester, DIMETHYL DIMETHYLMALONATE, dimethyl 2,2-dimethylpropanedioate, Dimethyldimethylmalonate
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 6065-54-9 |
|---|---|
| SMILES | CC(C)(C(=O)OC)C(=O)OC |
| InChIKey | CAFVGIPKHPBMJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethylpropanedioic acid dimethyl ester (CAS 6065-54-9), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: dimethyl 2,2-dimethylpropanedioate.
Chemical Property Profile of Dimethylpropanedioic acid dimethyl ester
Property Insights of Dimethylpropanedioic acid dimethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylpropanedioic acid dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethylpropanedioic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylpropanedioic acid 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 Dimethylpropanedioic acid dimethyl ester?
The CAS number of Dimethylpropanedioic acid dimethyl ester is 6065-54-9.
What is the molecular formula of Dimethylpropanedioic acid dimethyl ester?
The molecular formula of Dimethylpropanedioic acid dimethyl ester is C7H12O4.
What is the molecular weight of Dimethylpropanedioic acid dimethyl ester?
The molecular weight of Dimethylpropanedioic acid dimethyl ester is 160.07 g/mol.
Where can I buy Dimethylpropanedioic acid dimethyl ester?
You can request a quote for Dimethylpropanedioic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylpropanedioic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dimethylpropanedioic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.