Pentacyclo(4.3.0.02,5.03,8.04,7)nonane
TL;DR: Pentacyclo(4.3.0.02,5.03,8.04,7)nonane (CAS 452-61-9) is a chemical compound with molecular formula C1C2C3C4C1C5C2C3C45 and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacyclo[4.3.0.02,5.03,8.04,7]nonane
Also Known As: homocubane, Pentacyclo[4.3.0.02,5.03,8.04,7]nonane, Pentacyclo(4.3.0.02,5.03,8.04,7)nonane, Pentacyclo[4.3.0.02,5.03,9.04,7]nonane, Pentacyclo-<4,3,0,02.5,03.8,04.7>-nonan
| Molecular Formula | C1C2C3C4C1C5C2C3C45 |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.07825 |
| Heavy Atoms | 9 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 452-61-9 |
|---|---|
| SMILES | C1C2C3C4C1C5C2C3C45 |
| InChIKey | PAJGEKALYKVXNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentacyclo(4.3.0.02,5.03,8.04,7)nonane (CAS 452-61-9), with molecular formula C1C2C3C4C1C5C2C3C45 and molecular weight 118.08 g/mol. IUPAC: pentacyclo[4.3.0.02,5.03,8.04,7]nonane.
Chemical Property Profile of Pentacyclo(4.3.0.02,5.03,8.04,7)nonane
Property Insights of Pentacyclo(4.3.0.02,5.03,8.04,7)nonane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentacyclo(4.3.0.02,5.03,8.04,7)nonane. With a topological polar surface area (TPSA) of 0.0 Ų, Pentacyclo(4.3.0.02,5.03,8.04,7)nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentacyclo(4.3.0.02,5.03,8.04,7)nonane has 0 hydrogen bond donor(s) and 0 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 Pentacyclo(4.3.0.02,5.03,8.04,7)nonane?
The CAS number of Pentacyclo(4.3.0.02,5.03,8.04,7)nonane is 452-61-9.
What is the molecular formula of Pentacyclo(4.3.0.02,5.03,8.04,7)nonane?
The molecular formula of Pentacyclo(4.3.0.02,5.03,8.04,7)nonane is C1C2C3C4C1C5C2C3C45.
What is the molecular weight of Pentacyclo(4.3.0.02,5.03,8.04,7)nonane?
The molecular weight of Pentacyclo(4.3.0.02,5.03,8.04,7)nonane is 118.08 g/mol.
Where can I buy Pentacyclo(4.3.0.02,5.03,8.04,7)nonane?
You can request a quote for Pentacyclo(4.3.0.02,5.03,8.04,7)nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentacyclo(4.3.0.02,5.03,8.04,7)nonane?
Yes, KEHONG BIO provides custom synthesis services for Pentacyclo(4.3.0.02,5.03,8.04,7)nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.