3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate
TL;DR: 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate (CAS 68039-39-4) 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-3-enyl 2-methylpropanoate
Also Known As: 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate, Tricyclo(5.2.1.02,6)dec-3-en-8-yl isobutyrate, 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-methylpropanoate, 6-Butyroxy-3a,4,5,6,7,7a-hexahydro-4,7-methanoindene, tricyclo[5.2.1.02,6]dec-3-en-8-yl 2-methylpropanoate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 68039-39-4 |
|---|---|
| SMILES | CC(C)C(=O)OC1CC2CC1C3C2C=CC3 |
| InChIKey | NOVRMYIRGSLBER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate (CAS 68039-39-4), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-methylpropanoate.
Chemical Property Profile of 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate
Property Insights of 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate
The XLogP value of 3.2 indicates that 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl 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 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate?
The CAS number of 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate is 68039-39-4.
What is the molecular formula of 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate?
The molecular formula of 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate is C14H20O2.
What is the molecular weight of 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate?
The molecular weight of 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate is 220.15 g/mol.
Where can I buy 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate?
You can request a quote for 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.