1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate
TL;DR: 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate (CAS 10203-59-5) 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-pentan-3-ylpropanedioate
Also Known As: diethyl 2-ethyl-2-pentan-3-ylpropanedioate, Ethyl(1-ethylpropyl)propanedioic acid diethyl ester, Diethyl,ethyl(1-ethylpropyl) malonate, Malonic acid, ethyl(1-ethylpropyl)-, diethyl ester, Diethyl ethyl(pentan-3-yl)propanedioate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 4.0 |
| 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 | 251.0 |
Chemical Identifiers
| CAS Number | 10203-59-5 |
|---|---|
| SMILES | CCC(CC)C(CC)(C(=O)OCC)C(=O)OCC |
| InChIKey | YBCAIADYSNMQJE-UHFFFAOYSA-N |
Product Overview
1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate (CAS 10203-59-5), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: diethyl 2-ethyl-2-pentan-3-ylpropanedioate.
Chemical Property Profile of 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate
Property Insights of 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate
The XLogP value of 4.0 indicates that 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate 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 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate?
The CAS number of 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate is 10203-59-5.
What is the molecular formula of 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate?
The molecular formula of 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate is C14H26O4.
What is the molecular weight of 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate?
The molecular weight of 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate is 258.18 g/mol.
Where can I buy 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate?
You can request a quote for 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-ethyl-2-(1-ethylpropyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.