Pentane-1,1,3,3,5,5-hexacarbonitrile
TL;DR: Pentane-1,1,3,3,5,5-hexacarbonitrile (CAS 99972-11-9) is a chemical compound with molecular formula C11H6N6 and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentane-1,1,3,3,5,5-hexacarbonitrile
Also Known As: 1,1,3,3,5,5-hexacyanopentane, Pentane-1,1,3,3,5,5-hexacarbonitrile
| Molecular Formula | C11H6N6 |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 1.12688 |
| Topological Polar Surface Area | 142.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0654 |
| Heavy Atoms | 17 |
| Complexity | 443.2503 |
Chemical Identifiers
| CAS Number | 99972-11-9 |
|---|---|
| SMILES | C(C(C#N)C#N)C(CC(C#N)C#N)(C#N)C#N |
Product Overview
Pentane-1,1,3,3,5,5-hexacarbonitrile (CAS 99972-11-9), with molecular formula C11H6N6 and molecular weight 222.07 g/mol. IUPAC: pentane-1,1,3,3,5,5-hexacarbonitrile.
Chemical Property Profile of Pentane-1,1,3,3,5,5-hexacarbonitrile
Property Insights of Pentane-1,1,3,3,5,5-hexacarbonitrile
The XLogP value of 1.12688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentane-1,1,3,3,5,5-hexacarbonitrile. The TPSA of 142.74 Ų indicates high polarity, suggesting Pentane-1,1,3,3,5,5-hexacarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentane-1,1,3,3,5,5-hexacarbonitrile has 0 hydrogen bond donor(s) and 6 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 Pentane-1,1,3,3,5,5-hexacarbonitrile?
The CAS number of Pentane-1,1,3,3,5,5-hexacarbonitrile is 99972-11-9.
What is the molecular formula of Pentane-1,1,3,3,5,5-hexacarbonitrile?
The molecular formula of Pentane-1,1,3,3,5,5-hexacarbonitrile is C11H6N6.
What is the molecular weight of Pentane-1,1,3,3,5,5-hexacarbonitrile?
The molecular weight of Pentane-1,1,3,3,5,5-hexacarbonitrile is 222.07 g/mol.
Where can I buy Pentane-1,1,3,3,5,5-hexacarbonitrile?
You can request a quote for Pentane-1,1,3,3,5,5-hexacarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane-1,1,3,3,5,5-hexacarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Pentane-1,1,3,3,5,5-hexacarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.