Diethyl 2,6-dimethyleneheptanedioate
TL;DR: Diethyl 2,6-dimethyleneheptanedioate (CAS 69565-07-7) is a chemical compound with molecular formula C13H20O4 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,6-dimethylideneheptanedioate
Also Known As: Diethyl 2,6-dimethyleneheptanedioate, EINECS 274-043-0, diethyl2,6-dimethyleneheptanedioate, diethyl 2,6-dimethylideneheptanedioate, 2,6-Dimethyleneheptanedioic acid diethyl ester
| Molecular Formula | C13H20O4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 2.3953 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 240.13615 |
| Heavy Atoms | 17 |
| Complexity | 274.54132 |
Chemical Identifiers
| CAS Number | 69565-07-7 |
|---|---|
| SMILES | CCOC(=O)C(=C)CCCC(=C)C(=O)OCC |
Product Overview
Diethyl 2,6-dimethyleneheptanedioate (CAS 69565-07-7), with molecular formula C13H20O4 and molecular weight 240.14 g/mol. IUPAC: diethyl 2,6-dimethylideneheptanedioate.
Chemical Property Profile of Diethyl 2,6-dimethyleneheptanedioate
Property Insights of Diethyl 2,6-dimethyleneheptanedioate
The XLogP value of 2.3953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,6-dimethyleneheptanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2,6-dimethyleneheptanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,6-dimethyleneheptanedioate 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 2,6-dimethyleneheptanedioate?
The CAS number of Diethyl 2,6-dimethyleneheptanedioate is 69565-07-7.
What is the molecular formula of Diethyl 2,6-dimethyleneheptanedioate?
The molecular formula of Diethyl 2,6-dimethyleneheptanedioate is C13H20O4.
What is the molecular weight of Diethyl 2,6-dimethyleneheptanedioate?
The molecular weight of Diethyl 2,6-dimethyleneheptanedioate is 240.14 g/mol.
Where can I buy Diethyl 2,6-dimethyleneheptanedioate?
You can request a quote for Diethyl 2,6-dimethyleneheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,6-dimethyleneheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,6-dimethyleneheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.