5-Iminononane-1,4,9-tricarbonitrile
TL;DR: 5-Iminononane-1,4,9-tricarbonitrile (CAS 71205-23-7) is a chemical compound with molecular formula C12H16N4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iminononane-1,4,9-tricarbonitrile
Also Known As: 5-iminononane-1,4,9-tricarbonitrile, RefChem:303494
| Molecular Formula | C12H16N4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.1375 |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 71205-23-7 |
|---|---|
| SMILES | C(CCC(=N)C(CCCC#N)C#N)CC#N |
| InChIKey | CXNAWBNZPPSZPO-UHFFFAOYSA-N |
Product Overview
5-Iminononane-1,4,9-tricarbonitrile (CAS 71205-23-7), with molecular formula C12H16N4 and molecular weight 216.14 g/mol. IUPAC: 5-iminononane-1,4,9-tricarbonitrile.
Chemical Property Profile of 5-Iminononane-1,4,9-tricarbonitrile
Property Insights of 5-Iminononane-1,4,9-tricarbonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iminononane-1,4,9-tricarbonitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Iminononane-1,4,9-tricarbonitrile. Following Lipinski's Rule of Five, 5-Iminononane-1,4,9-tricarbonitrile has 1 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 5-Iminononane-1,4,9-tricarbonitrile?
The CAS number of 5-Iminononane-1,4,9-tricarbonitrile is 71205-23-7.
What is the molecular formula of 5-Iminononane-1,4,9-tricarbonitrile?
The molecular formula of 5-Iminononane-1,4,9-tricarbonitrile is C12H16N4.
What is the molecular weight of 5-Iminononane-1,4,9-tricarbonitrile?
The molecular weight of 5-Iminononane-1,4,9-tricarbonitrile is 216.14 g/mol.
Where can I buy 5-Iminononane-1,4,9-tricarbonitrile?
You can request a quote for 5-Iminononane-1,4,9-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iminononane-1,4,9-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Iminononane-1,4,9-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.