1,3,6-Hexanetricarbonitrile
TL;DR: 1,3,6-Hexanetricarbonitrile (CAS 1772-25-4) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexane-1,3,6-tricarbonitrile
Also Known As: 1,3,6-Hexanetricarbonitrile, hexane-1,3,6-tricarbonitrile, 1,3,6-TRICYANOHEXANE, 4-Cyanosuberonitrile, 6-METHYLCHROMONE
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 1772-25-4 |
|---|---|
| SMILES | C(CC#N)CC(CCC#N)C#N |
| InChIKey | LNLFLMCWDHZINJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,6-Hexanetricarbonitrile (CAS 1772-25-4), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: hexane-1,3,6-tricarbonitrile.
Chemical Property Profile of 1,3,6-Hexanetricarbonitrile
Property Insights of 1,3,6-Hexanetricarbonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,6-Hexanetricarbonitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,6-Hexanetricarbonitrile. Following Lipinski's Rule of Five, 1,3,6-Hexanetricarbonitrile has 0 hydrogen bond donor(s) and 3 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 1,3,6-Hexanetricarbonitrile?
The CAS number of 1,3,6-Hexanetricarbonitrile is 1772-25-4.
What is the molecular formula of 1,3,6-Hexanetricarbonitrile?
The molecular formula of 1,3,6-Hexanetricarbonitrile is C9H11N3.
What is the molecular weight of 1,3,6-Hexanetricarbonitrile?
The molecular weight of 1,3,6-Hexanetricarbonitrile is 161.10 g/mol.
Where can I buy 1,3,6-Hexanetricarbonitrile?
You can request a quote for 1,3,6-Hexanetricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6-Hexanetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6-Hexanetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.