Octahydro-4a,8a-(epiminomethano)naphthalen-9-one
TL;DR: Octahydro-4a,8a-(epiminomethano)naphthalen-9-one (CAS 6636-96-0) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-azatricyclo[4.4.2.01,6]dodecan-12-one
Also Known As: octahydro-4a,8a-(epiminomethano)naphthalen-9-one, RCL T169730
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6636-96-0 |
|---|---|
| SMILES | C1CCC23CCCCC2(C1)C(=O)N3 |
| InChIKey | VGMIKUAJJWNLSU-UHFFFAOYSA-N |
Product Overview
Octahydro-4a,8a-(epiminomethano)naphthalen-9-one (CAS 6636-96-0), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 11-azatricyclo[4.4.2.01,6]dodecan-12-one.
Chemical Property Profile of Octahydro-4a,8a-(epiminomethano)naphthalen-9-one
Property Insights of Octahydro-4a,8a-(epiminomethano)naphthalen-9-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-4a,8a-(epiminomethano)naphthalen-9-one. With a topological polar surface area (TPSA) of 29.1 Ų, Octahydro-4a,8a-(epiminomethano)naphthalen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-4a,8a-(epiminomethano)naphthalen-9-one has 1 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 Octahydro-4a,8a-(epiminomethano)naphthalen-9-one?
The CAS number of Octahydro-4a,8a-(epiminomethano)naphthalen-9-one is 6636-96-0.
What is the molecular formula of Octahydro-4a,8a-(epiminomethano)naphthalen-9-one?
The molecular formula of Octahydro-4a,8a-(epiminomethano)naphthalen-9-one is C11H17NO.
What is the molecular weight of Octahydro-4a,8a-(epiminomethano)naphthalen-9-one?
The molecular weight of Octahydro-4a,8a-(epiminomethano)naphthalen-9-one is 179.13 g/mol.
Where can I buy Octahydro-4a,8a-(epiminomethano)naphthalen-9-one?
You can request a quote for Octahydro-4a,8a-(epiminomethano)naphthalen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-4a,8a-(epiminomethano)naphthalen-9-one?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-4a,8a-(epiminomethano)naphthalen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.