Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate
TL;DR: Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate (CAS 19894-79-2) is a chemical compound with molecular formula C17H28O4 and molecular weight 296.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate
Also Known As: Diethyl (E)-(3,7-dimethyl-2,6-octadienyl)malonate, Propanedioic acid,[(2E)-3,7-dimethyl-2,6-octadienyl]-, diethyl ester, (-)- (9CI)
| Molecular Formula | C17H28O4 |
|---|---|
| Molecular Weight | 296.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 296.19876 |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 19894-79-2 |
|---|---|
| SMILES | CCOC(=O)C(CC=C(C)CCC=C(C)C)C(=O)OCC |
| InChIKey | CNARYHFSSZYVQJ-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate (CAS 19894-79-2), with molecular formula C17H28O4 and molecular weight 296.20 g/mol. IUPAC: diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate.
Chemical Property Profile of Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate
Property Insights of Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate
The XLogP value of 4.7 indicates that Diethyl 2-(3,7-dimethylocta-2,6-dienyl)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 2-(3,7-dimethylocta-2,6-dienyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(3,7-dimethylocta-2,6-dienyl)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 2-(3,7-dimethylocta-2,6-dienyl)propanedioate?
The CAS number of Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate is 19894-79-2.
What is the molecular formula of Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate?
The molecular formula of Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate is C17H28O4.
What is the molecular weight of Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate?
The molecular weight of Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate is 296.20 g/mol.
Where can I buy Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate?
You can request a quote for Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3,7-dimethylocta-2,6-dienyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.