5-Ethylbenzene-1,2,4-tricarbonitrile
TL;DR: 5-Ethylbenzene-1,2,4-tricarbonitrile (CAS 140667-02-3) is a chemical compound with molecular formula C11H7N3 and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylbenzene-1,2,4-tricarbonitrile
Also Known As: 5-ethylbenzene-1,2,4-tricarbonitrile, 5-Ethylbenzene-1,2,4-triscarbonitrile
| Molecular Formula | C11H7N3 |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 1.86404 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.064 |
| Heavy Atoms | 14 |
| Complexity | 480.96994 |
Chemical Identifiers
| CAS Number | 140667-02-3 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1C#N)C#N)C#N |
Product Overview
5-Ethylbenzene-1,2,4-tricarbonitrile (CAS 140667-02-3), with molecular formula C11H7N3 and molecular weight 181.06 g/mol. IUPAC: 5-ethylbenzene-1,2,4-tricarbonitrile.
Chemical Property Profile of 5-Ethylbenzene-1,2,4-tricarbonitrile
Property Insights of 5-Ethylbenzene-1,2,4-tricarbonitrile
The XLogP value of 1.86404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethylbenzene-1,2,4-tricarbonitrile. The TPSA of 71.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethylbenzene-1,2,4-tricarbonitrile. Following Lipinski's Rule of Five, 5-Ethylbenzene-1,2,4-tricarbonitrile 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 5-Ethylbenzene-1,2,4-tricarbonitrile?
The CAS number of 5-Ethylbenzene-1,2,4-tricarbonitrile is 140667-02-3.
What is the molecular formula of 5-Ethylbenzene-1,2,4-tricarbonitrile?
The molecular formula of 5-Ethylbenzene-1,2,4-tricarbonitrile is C11H7N3.
What is the molecular weight of 5-Ethylbenzene-1,2,4-tricarbonitrile?
The molecular weight of 5-Ethylbenzene-1,2,4-tricarbonitrile is 181.06 g/mol.
Where can I buy 5-Ethylbenzene-1,2,4-tricarbonitrile?
You can request a quote for 5-Ethylbenzene-1,2,4-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethylbenzene-1,2,4-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethylbenzene-1,2,4-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.