Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester
TL;DR: Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester (CAS 77-24-7) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-(3-methylbutyl)propanedioate
Also Known As: Diethyl ethylisopentylmalonate, DIETHYL ETHYL(ISOAMYL)MALONATE, Diethylethyl malonate, diethyl ethyl(3-methylbutyl)malonate, Diethylethyl(isoamyl)malonate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 77-24-7 |
|---|---|
| SMILES | CCC(CCC(C)C)(C(=O)OCC)C(=O)OCC |
| InChIKey | BSPKCYBRFKQSDQ-UHFFFAOYSA-N |
Product Overview
Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester (CAS 77-24-7), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: diethyl 2-ethyl-2-(3-methylbutyl)propanedioate.
Chemical Property Profile of Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester
Property Insights of Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester
The XLogP value of 3.9 indicates that Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, ethyl(3-methylbutyl)-, diethyl 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, ethyl(3-methylbutyl)-, diethyl ester?
The CAS number of Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester is 77-24-7.
What is the molecular formula of Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester?
The molecular formula of Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester is C14H26O4.
What is the molecular weight of Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester?
The molecular weight of Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester is 258.18 g/mol.
Where can I buy Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester?
You can request a quote for Propanedioic acid, ethyl(3-methylbutyl)-, diethyl 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, ethyl(3-methylbutyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.