![(5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one structure](/static/products/4128/41286-95-7.webp)
(5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one
TL;DR: (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one (CAS 41286-95-7) is a chemical compound with molecular formula C23H26N2O and molecular weight 346.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,10S)-10-(4-phenylpiperazin-1-yl)tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one
Also Known As: (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one, 5,9-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-8-(4-phenyl-1-piperazinyl)-, (5-alpha,8-beta,9-alpha)-, 8-(4-Phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one, BRN 0896057, RefChem:299001
| Molecular Formula | C23H26N2O |
|---|---|
| Molecular Weight | 346.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.2045 |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 41286-95-7 |
|---|---|
| SMILES | C1C[C@@H]2C3=CC=CC=C3C[C@H]([C@H]1N4CCN(CC4)C5=CC=CC=C5)C2=O |
| InChIKey | AVOVUWSBNQIVFM-VSKRKVRLSA-N |
Product Overview
(5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one (CAS 41286-95-7), with molecular formula C23H26N2O and molecular weight 346.20 g/mol. IUPAC: (1R,9R,10S)-10-(4-phenylpiperazin-1-yl)tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one.
Chemical Property Profile of (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one
Property Insights of (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one
The XLogP value of 3.9 indicates that (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one has 0 hydrogen bond donor(s) and 3 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 (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one?
The CAS number of (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one is 41286-95-7.
What is the molecular formula of (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one?
The molecular formula of (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one is C23H26N2O.
What is the molecular weight of (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one?
The molecular weight of (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one is 346.20 g/mol.
Where can I buy (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one?
You can request a quote for (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one?
Yes, KEHONG BIO provides custom synthesis services for (5r,8s,9r)-8-(4-phenylpiperazin-1-yl)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.