1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole
TL;DR: 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole (CAS 73291-32-4) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,7S,8S,12R)-3,4-diazatetracyclo[5.5.1.02,6.08,12]trideca-2(6),4-diene
Also Known As: 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole, 4,8-Methanocyclopent(f)indazole, 1,4,4a,5,6,7,7a,8-octahydro-, (4-alpha,4a-beta,7a-beta,8-alpha)-, 2,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta[f]indazole, (4S,4aS,7aR,8R)-2,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta[f]indazole, BRN 0911072
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 2.4105 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 324.22717 |
Chemical Identifiers
| CAS Number | 73291-32-4 |
|---|---|
| SMILES | C1C[C@H]2[C@@H](C1)[C@H]3C[C@@H]2C4=C3NN=C4 |
Product Overview
1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole (CAS 73291-32-4), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: (1R,7S,8S,12R)-3,4-diazatetracyclo[5.5.1.02,6.08,12]trideca-2(6),4-diene.
Chemical Property Profile of 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole
Property Insights of 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole
The XLogP value of 2.4105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole. With a topological polar surface area (TPSA) of 28.68 Ų, 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole 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 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole?
The CAS number of 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole is 73291-32-4.
What is the molecular formula of 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole?
The molecular formula of 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole is C11H14N2.
What is the molecular weight of 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole?
The molecular weight of 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole is 174.12 g/mol.
Where can I buy 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole?
You can request a quote for 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4a,5,6,7,7a,8-Octahydro-4,8-methanocyclopenta(f)indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.