11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane
TL;DR: 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane (CAS 95617-30-4) is a chemical compound with molecular formula C1C2C3CC4C1C5C2C3C4N5 and molecular weight 147.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-azapentacyclo[5.4.0.02,6.03,10.05,9]undecane
Also Known As: 11-Apcd, 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane, 3,2,5-Ethanylylidene-1H-1-azacyclobuta[cd]pentalene, octahydro-, Octahydro-1H-2,4,1-(ethane[1,1,2]triyl)-3-azacyclobuta[cd]pentalene, RefChem:77784
| Molecular Formula | C1C2C3CC4C1C5C2C3C4N5 |
|---|---|
| Molecular Weight | 147.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.1048 |
| Heavy Atoms | 11 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 95617-30-4 |
|---|---|
| SMILES | C1C2C3CC4C1C5C2C3C4N5 |
| InChIKey | AWGULFDHHFSTLO-UHFFFAOYSA-N |
Product Overview
11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane (CAS 95617-30-4), with molecular formula C1C2C3CC4C1C5C2C3C4N5 and molecular weight 147.10 g/mol. IUPAC: 4-azapentacyclo[5.4.0.02,6.03,10.05,9]undecane.
Chemical Property Profile of 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane
Property Insights of 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane. With a topological polar surface area (TPSA) of 12.0 Ų, 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane 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 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane?
The CAS number of 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane is 95617-30-4.
What is the molecular formula of 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane?
The molecular formula of 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane is C1C2C3CC4C1C5C2C3C4N5.
What is the molecular weight of 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane?
The molecular weight of 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane is 147.10 g/mol.
Where can I buy 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane?
You can request a quote for 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane?
Yes, KEHONG BIO provides custom synthesis services for 11-Azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9)decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.