Diallyl pimelate
TL;DR: Diallyl pimelate (CAS 91906-66-0) 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.
bis(prop-2-enyl) heptanedioate
Also Known As: DIALLYL PIMELATE, bis(prop-2-enyl) heptanedioate, diprop-2-en-1-yl heptanedioate, Di(prop-2-en-1-yl) heptanedioate, 1,7-bis(prop-2-en-1-yl) heptanedioate
| Molecular Formula | C13H20O4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 240.13615 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 91906-66-0 |
|---|---|
| SMILES | C=CCOC(=O)CCCCCC(=O)OCC=C |
| InChIKey | SQBBIIARQXLCHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl pimelate (CAS 91906-66-0), with molecular formula C13H20O4 and molecular weight 240.14 g/mol. IUPAC: bis(prop-2-enyl) heptanedioate.
Chemical Property Profile of Diallyl pimelate
Property Insights of Diallyl pimelate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl pimelate. With a topological polar surface area (TPSA) of 52.6 Ų, Diallyl pimelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl pimelate 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 Diallyl pimelate?
The CAS number of Diallyl pimelate is 91906-66-0.
What is the molecular formula of Diallyl pimelate?
The molecular formula of Diallyl pimelate is C13H20O4.
What is the molecular weight of Diallyl pimelate?
The molecular weight of Diallyl pimelate is 240.14 g/mol.
Where can I buy Diallyl pimelate?
You can request a quote for Diallyl pimelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl pimelate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl pimelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.