丙二酸丁基乙基二乙酯
TL;DR: 丙二酸丁基乙基二乙酯 (CAS 596-76-9) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙二酸丁基乙基二乙酯
diethyl 2-butyl-2-ethylpropanedioate
Also Known As: Diethyl butylethylmalonate, BUTYL TRIETHYL MALONATE, diethyl 2-butyl-2-ethylpropanedioate, diethyl butyl(ethyl)malonate, BUTYLTRIETHYLMALONATE
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 596-76-9 |
|---|---|
| SMILES | CCCCC(CC)(C(=O)OCC)C(=O)OCC |
| InChIKey | OPFFBDXXUZAUAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙二酸丁基乙基二乙酯 (CAS 596-76-9), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: diethyl 2-butyl-2-ethylpropanedioate.
Chemical Property Profile of 丙二酸丁基乙基二乙酯
Property Insights of 丙二酸丁基乙基二乙酯
The XLogP value of 3.6 indicates that 丙二酸丁基乙基二乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 丙二酸丁基乙基二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙二酸丁基乙基二乙酯 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 丙二酸丁基乙基二乙酯?
The CAS number of 丙二酸丁基乙基二乙酯 is 596-76-9.
What is the molecular formula of 丙二酸丁基乙基二乙酯?
The molecular formula of 丙二酸丁基乙基二乙酯 is C13H24O4.
What is the molecular weight of 丙二酸丁基乙基二乙酯?
The molecular weight of 丙二酸丁基乙基二乙酯 is 244.17 g/mol.
Where can I buy 丙二酸丁基乙基二乙酯?
You can request a quote for 丙二酸丁基乙基二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙二酸丁基乙基二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙二酸丁基乙基二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.