Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene
TL;DR: Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene (CAS 84607-93-2) is a chemical compound with molecular formula C12H22N4 and molecular weight 222.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecane
Also Known As: cis-Glyoxal-cyclam, Cyclan glyoxal, cis-PTAP, cis-Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene, Cyclam cis-glyoxal derivative, cis-1,4,8,11-Perhydrotetraazapyrene
| Molecular Formula | C12H22N4 |
|---|---|
| Molecular Weight | 222.18 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.18445 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 84607-93-2 |
|---|---|
| SMILES | C1CN2CCN3CCCN4C3C2N(C1)CC4 |
| InChIKey | CMHJBNKGPWROQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene (CAS 84607-93-2), with molecular formula C12H22N4 and molecular weight 222.18 g/mol. IUPAC: 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecane.
Chemical Property Profile of Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene
Property Insights of Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene. With a topological polar surface area (TPSA) of 13.0 Ų, Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene has 0 hydrogen bond donor(s) and 4 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 Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene?
The CAS number of Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene is 84607-93-2.
What is the molecular formula of Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene?
The molecular formula of Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene is C12H22N4.
What is the molecular weight of Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene?
The molecular weight of Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene is 222.18 g/mol.
Where can I buy Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene?
You can request a quote for Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene?
Yes, KEHONG BIO provides custom synthesis services for Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.