Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile
TL;DR: Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile (CAS 21889-11-2) is a chemical compound with molecular formula C13H8N4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetracyclo[4.3.0.02,4.03,7]nonane-8,8,9,9-tetracarbonitrile
Also Known As: hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile, hexahydro-1,2,4-methenopentalene-5,5,6,6-tetracarbonitrile, tetracyclo[4.3.0.02,4.03,7]nonane-8,8,9,9-tetracarbonitrile, 1,2,3,3a,4,6a-Hexahydro-1,2,4-methenopentalene-5,5,6,6-tetracarbonitrile
| Molecular Formula | C13H8N4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.07489 |
| Heavy Atoms | 17 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 21889-11-2 |
|---|---|
| SMILES | C1C2C3C2C4C1C3C(C4(C#N)C#N)(C#N)C#N |
| InChIKey | GLTWQRWKUMNHFV-UHFFFAOYSA-N |
Product Overview
Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile (CAS 21889-11-2), with molecular formula C13H8N4 and molecular weight 220.07 g/mol. IUPAC: tetracyclo[4.3.0.02,4.03,7]nonane-8,8,9,9-tetracarbonitrile.
Chemical Property Profile of Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile
Property Insights of Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile. Following Lipinski's Rule of Five, Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile 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 Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile?
The CAS number of Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile is 21889-11-2.
What is the molecular formula of Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile?
The molecular formula of Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile is C13H8N4.
What is the molecular weight of Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile?
The molecular weight of Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile is 220.07 g/mol.
Where can I buy Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile?
You can request a quote for Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1,2,4-(methanetriyl)pentalene-5,5,6,6-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.