Dicyclopentadiene isobutyrate
TL;DR: Dicyclopentadiene isobutyrate (CAS 68900-66-3) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-tricyclo[5.2.1.02,6]dec-5-enyl 2-methylpropanoate
Also Known As: Dicyclopentadiene isobutyrate, EINECS 272-619-6, 2,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl isobutyrate, Propanoic acid, 2-methyl-, 2,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl ester, RefChem:176337
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 2.9304 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 342.6445 |
Chemical Identifiers
| CAS Number | 68900-66-3 |
|---|---|
| SMILES | CC(C)C(=O)OC1CC2CC1C3=CCCC23 |
Product Overview
Dicyclopentadiene isobutyrate (CAS 68900-66-3), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 8-tricyclo[5.2.1.02,6]dec-5-enyl 2-methylpropanoate.
Chemical Property Profile of Dicyclopentadiene isobutyrate
Property Insights of Dicyclopentadiene isobutyrate
The XLogP value of 2.9304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dicyclopentadiene isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Dicyclopentadiene isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dicyclopentadiene isobutyrate has 0 hydrogen bond donor(s) and 2 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 Dicyclopentadiene isobutyrate?
The CAS number of Dicyclopentadiene isobutyrate is 68900-66-3.
What is the molecular formula of Dicyclopentadiene isobutyrate?
The molecular formula of Dicyclopentadiene isobutyrate is C14H20O2.
What is the molecular weight of Dicyclopentadiene isobutyrate?
The molecular weight of Dicyclopentadiene isobutyrate is 220.15 g/mol.
Where can I buy Dicyclopentadiene isobutyrate?
You can request a quote for Dicyclopentadiene isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicyclopentadiene isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Dicyclopentadiene isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.