Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate
TL;DR: Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate (CAS 59726-44-2) is a chemical compound with molecular formula C15H26O4 and molecular weight 270.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-methylbutyl)-2-prop-2-enylpropanedioate
Also Known As: Diethyl (3-methylbutyl)allylmalonate, diethyl allyl(3-methylbutyl)malonate, diethyl 2-(3-methylbutyl)-2-(propen-2-yl)malonate, Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate, diethyl 2-(3-methylbutyl)-2-prop-2-enylpropanedioate
| Molecular Formula | C15H26O4 |
|---|---|
| Molecular Weight | 270.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 270.1831 |
| Heavy Atoms | 19 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 59726-44-2 |
|---|---|
| SMILES | CCOC(=O)C(CCC(C)C)(CC=C)C(=O)OCC |
| InChIKey | UWMMFJJQWYLAAX-UHFFFAOYSA-N |
Product Overview
Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate (CAS 59726-44-2), with molecular formula C15H26O4 and molecular weight 270.18 g/mol. IUPAC: diethyl 2-(3-methylbutyl)-2-prop-2-enylpropanedioate.
Chemical Property Profile of Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate
Property Insights of Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate
The XLogP value of 4.1 indicates that Diethyl (3-methylbutyl)(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 (3-methylbutyl)(prop-2-en-1-yl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (3-methylbutyl)(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 (3-methylbutyl)(prop-2-en-1-yl)propanedioate?
The CAS number of Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate is 59726-44-2.
What is the molecular formula of Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate?
The molecular formula of Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate is C15H26O4.
What is the molecular weight of Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate?
The molecular weight of Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate is 270.18 g/mol.
Where can I buy Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate?
You can request a quote for Diethyl (3-methylbutyl)(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 (3-methylbutyl)(prop-2-en-1-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (3-methylbutyl)(prop-2-en-1-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.