1,2,4-Benzenetricarbonitrile
TL;DR: 1,2,4-Benzenetricarbonitrile (CAS 10347-14-5) is a chemical compound with molecular formula C9H3N3 and molecular weight 153.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,2,4-tricarbonitrile
Also Known As: Benzene-1,2,4-tricarbonitrile, 1,2,4-Benzenetricarbonitrile, 4-cyano phthalonitrile, 1,2,4-tricyanobenzene, Benzol-1,2,4-tricarbonitril
| Molecular Formula | C9H3N3 |
|---|---|
| Molecular Weight | 153.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.0327 |
| Heavy Atoms | 12 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 10347-14-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)C#N)C#N |
| InChIKey | RTJRHFSBKHHQEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Benzenetricarbonitrile (CAS 10347-14-5), with molecular formula C9H3N3 and molecular weight 153.03 g/mol. IUPAC: benzene-1,2,4-tricarbonitrile.
Chemical Property Profile of 1,2,4-Benzenetricarbonitrile
Property Insights of 1,2,4-Benzenetricarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzenetricarbonitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzenetricarbonitrile. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarbonitrile 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 1,2,4-Benzenetricarbonitrile?
The CAS number of 1,2,4-Benzenetricarbonitrile is 10347-14-5.
What is the molecular formula of 1,2,4-Benzenetricarbonitrile?
The molecular formula of 1,2,4-Benzenetricarbonitrile is C9H3N3.
What is the molecular weight of 1,2,4-Benzenetricarbonitrile?
The molecular weight of 1,2,4-Benzenetricarbonitrile is 153.03 g/mol.
Where can I buy 1,2,4-Benzenetricarbonitrile?
You can request a quote for 1,2,4-Benzenetricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzenetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.