Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate
TL;DR: Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate (CAS 71848-98-1) is a chemical compound with molecular formula C16H26O4 and molecular weight 282.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-bis(prop-2-enyl)hexanedioate
Also Known As: diethyl 2,5-di(prop-2-en-1-yl)hexanedioate, diethyl 2,5-bis(prop-2-enyl)hexanedioate, 2,5-diallyl-adipic acid diethyl ester
| Molecular Formula | C16H26O4 |
|---|---|
| Molecular Weight | 282.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 282.1831 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 71848-98-1 |
|---|---|
| SMILES | CCOC(=O)C(CCC(CC=C)C(=O)OCC)CC=C |
| InChIKey | GGVIOPNXWBYKJL-UHFFFAOYSA-N |
Product Overview
Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate (CAS 71848-98-1), with molecular formula C16H26O4 and molecular weight 282.18 g/mol. IUPAC: diethyl 2,5-bis(prop-2-enyl)hexanedioate.
Chemical Property Profile of Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate
Property Insights of Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate
The XLogP value of 3.6 indicates that Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate 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 2,5-di(prop-2-en-1-yl)hexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate 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 2,5-di(prop-2-en-1-yl)hexanedioate?
The CAS number of Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate is 71848-98-1.
What is the molecular formula of Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate?
The molecular formula of Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate is C16H26O4.
What is the molecular weight of Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate?
The molecular weight of Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate is 282.18 g/mol.
Where can I buy Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate?
You can request a quote for Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,5-di(prop-2-en-1-yl)hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.