4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate
TL;DR: 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate (CAS 54830-99-8) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tricyclo[5.2.1.02,6]dec-3-enyl acetate
Also Known As: Acetate verdyl, 6-ACETOXYDICYCLOPENTADIENE, Tricyclo(5.2.1.02,6)dec-3-enyl acetate, Tricyclo[5.2.1.02,6]dec-3-enylacetate, 2,3-dihydrodicyclopentadien-2/3-yl acetate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 54830-99-8 |
|---|---|
| SMILES | CC(=O)OC1=CCC2C1C3CCC2C3 |
| InChIKey | KARQHHMQOVRDNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate (CAS 54830-99-8), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 3-tricyclo[5.2.1.02,6]dec-3-enyl acetate.
Chemical Property Profile of 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate
Property Insights of 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate 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 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate?
The CAS number of 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate is 54830-99-8.
What is the molecular formula of 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate?
The molecular formula of 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate is C12H16O2.
What is the molecular weight of 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate?
The molecular weight of 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate is 192.12 g/mol.
Where can I buy 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate?
You can request a quote for 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.