Diethyl butyl(prop-2-en-1-yl)propanedioate
TL;DR: Diethyl butyl(prop-2-en-1-yl)propanedioate (CAS 1575-76-4) is a chemical compound with molecular formula C14H24O4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-butyl-2-prop-2-enylpropanedioate
Also Known As: diethyl butyl(prop-2-en-1-yl)propanedioate, allyl-butyl-malonic acid diethyl ester, 2-Allyl-2-butylmalonic acid diethyl ester, 2-Butyl-2-allylmalonic acid diethyl ester, diethyl 2-butyl-2-prop-2-enylpropanedioate
| Molecular Formula | C14H24O4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 256.16745 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 1575-76-4 |
|---|---|
| SMILES | CCCCC(CC=C)(C(=O)OCC)C(=O)OCC |
| InChIKey | RNITVRORKFRQAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl butyl(prop-2-en-1-yl)propanedioate (CAS 1575-76-4), with molecular formula C14H24O4 and molecular weight 256.17 g/mol. IUPAC: diethyl 2-butyl-2-prop-2-enylpropanedioate.
Chemical Property Profile of Diethyl butyl(prop-2-en-1-yl)propanedioate
Property Insights of Diethyl butyl(prop-2-en-1-yl)propanedioate
The XLogP value of 3.8 indicates that Diethyl butyl(prop-2-en-1-yl)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, Diethyl butyl(prop-2-en-1-yl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl butyl(prop-2-en-1-yl)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 Diethyl butyl(prop-2-en-1-yl)propanedioate?
The CAS number of Diethyl butyl(prop-2-en-1-yl)propanedioate is 1575-76-4.
What is the molecular formula of Diethyl butyl(prop-2-en-1-yl)propanedioate?
The molecular formula of Diethyl butyl(prop-2-en-1-yl)propanedioate is C14H24O4.
What is the molecular weight of Diethyl butyl(prop-2-en-1-yl)propanedioate?
The molecular weight of Diethyl butyl(prop-2-en-1-yl)propanedioate is 256.17 g/mol.
Where can I buy Diethyl butyl(prop-2-en-1-yl)propanedioate?
You can request a quote for Diethyl butyl(prop-2-en-1-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl butyl(prop-2-en-1-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl butyl(prop-2-en-1-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.