4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one
TL;DR: 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one (CAS 51519-65-4) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[6.2.1.02,7]undec-9-en-3-one
Also Known As: 4,4a,6,7,8,8a-Hexahydro-1,4-methanonaphthalen-5(1H)-one, tricyclo[6.2.1.02,7]undec-9-en-3-one, N'-hydroxy-N-pyrimidin-2-yliminoformamide, 1,4-Methanonaphthalen-5(1H)-one, 4,4a,6,7,8,8a-hexahydro-, Tricyclo[6.2.1.02,7]undecane-9-ene-3-one
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 51519-65-4 |
|---|---|
| SMILES | C1CC2C3CC(C2C(=O)C1)C=C3 |
| InChIKey | YINCMLNASBORJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one (CAS 51519-65-4), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: tricyclo[6.2.1.02,7]undec-9-en-3-one.
Chemical Property Profile of 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one
Property Insights of 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one has 0 hydrogen bond donor(s) and 1 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 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one?
The CAS number of 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one is 51519-65-4.
What is the molecular formula of 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one?
The molecular formula of 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one is C11H14O.
What is the molecular weight of 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one?
The molecular weight of 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one is 162.10 g/mol.
Where can I buy 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one?
You can request a quote for 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.