Propanedioic acid, methyl-, ethyl methyl ester
TL;DR: Propanedioic acid, methyl-, ethyl methyl ester (CAS 6065-52-7) 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.
1-O-ethyl 3-O-methyl 2-methylpropanedioate
Also Known As: methyl ethyl-2-methyl malonate, Ethyl methyl methylpropanedioate, Propanedioic acid, methyl-, ethyl methyl ester, 1-O-ethyl 3-O-methyl 2-methylpropanedioate, 1-Ethyl 3-methyl 2-methylmalonate #
| 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 | 5 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 6065-52-7 |
|---|---|
| SMILES | CCOC(=O)C(C)C(=O)OC |
| InChIKey | HRAVMVHGCAKBDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, methyl-, ethyl methyl ester (CAS 6065-52-7), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 1-O-ethyl 3-O-methyl 2-methylpropanedioate.
Chemical Property Profile of Propanedioic acid, methyl-, ethyl methyl ester
Property Insights of Propanedioic acid, methyl-, ethyl methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, methyl-, ethyl methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, methyl-, ethyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, methyl-, ethyl methyl 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 Propanedioic acid, methyl-, ethyl methyl ester?
The CAS number of Propanedioic acid, methyl-, ethyl methyl ester is 6065-52-7.
What is the molecular formula of Propanedioic acid, methyl-, ethyl methyl ester?
The molecular formula of Propanedioic acid, methyl-, ethyl methyl ester is C7H12O4.
What is the molecular weight of Propanedioic acid, methyl-, ethyl methyl ester?
The molecular weight of Propanedioic acid, methyl-, ethyl methyl ester is 160.07 g/mol.
Where can I buy Propanedioic acid, methyl-, ethyl methyl ester?
You can request a quote for Propanedioic acid, methyl-, ethyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, methyl-, ethyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, methyl-, ethyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.