2-Ethylbenzene-1,4-dicarbonitrile
TL;DR: 2-Ethylbenzene-1,4-dicarbonitrile (CAS 175278-32-7) is a chemical compound with molecular formula C10H8N2 and molecular weight 156.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbenzene-1,4-dicarbonitrile
Also Known As: 2-Ethylterephthalonitrile, 1,4-Dicyano-2-ethylbenzene, 2-ethylbenzene-1,4-dicarbonitrile, 1,4-Benzenedicarbonitrile, 2-ethyl-, 1,4-Benzenedicarbonitrile,2-ethyl-
| Molecular Formula | C10H8N2 |
|---|---|
| Molecular Weight | 156.07 g/mol |
| LogP | 1.99236 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.06874 |
| Heavy Atoms | 12 |
| Complexity | 366.40546 |
Chemical Identifiers
| CAS Number | 175278-32-7 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)C#N)C#N |
Product Overview
2-Ethylbenzene-1,4-dicarbonitrile (CAS 175278-32-7), with molecular formula C10H8N2 and molecular weight 156.07 g/mol. IUPAC: 2-ethylbenzene-1,4-dicarbonitrile.
Chemical Property Profile of 2-Ethylbenzene-1,4-dicarbonitrile
Property Insights of 2-Ethylbenzene-1,4-dicarbonitrile
The XLogP value of 1.99236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbenzene-1,4-dicarbonitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2-Ethylbenzene-1,4-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbenzene-1,4-dicarbonitrile has 0 hydrogen bond donor(s) and 2 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 2-Ethylbenzene-1,4-dicarbonitrile?
The CAS number of 2-Ethylbenzene-1,4-dicarbonitrile is 175278-32-7.
What is the molecular formula of 2-Ethylbenzene-1,4-dicarbonitrile?
The molecular formula of 2-Ethylbenzene-1,4-dicarbonitrile is C10H8N2.
What is the molecular weight of 2-Ethylbenzene-1,4-dicarbonitrile?
The molecular weight of 2-Ethylbenzene-1,4-dicarbonitrile is 156.07 g/mol.
Where can I buy 2-Ethylbenzene-1,4-dicarbonitrile?
You can request a quote for 2-Ethylbenzene-1,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbenzene-1,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbenzene-1,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.