1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-
TL;DR: 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl- (CAS 1206-85-5) is a chemical compound with molecular formula C12H9N3 and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethylbenzene-1,3,5-tricarbonitrile
Also Known As: 2,4,6-trimethylbenzene-1,3,5-tricarbonitrile, tricyanomesitylene, 2,4,6-Trimethyltrimesonitrile, 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-, 2,4,6-Trimethyl-1,3,5-benzenetricarbonitrile
| Molecular Formula | C12H9N3 |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.07965 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 1206-85-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C#N)C)C#N)C)C#N |
| InChIKey | WURVTDKUHZJPJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl- (CAS 1206-85-5), with molecular formula C12H9N3 and molecular weight 195.08 g/mol. IUPAC: 2,4,6-trimethylbenzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-
Property Insights of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-. Following Lipinski's Rule of Five, 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl- 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 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-?
The CAS number of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl- is 1206-85-5.
What is the molecular formula of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-?
The molecular formula of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl- is C12H9N3.
What is the molecular weight of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-?
The molecular weight of 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl- is 195.08 g/mol.
Where can I buy 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-?
You can request a quote for 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.