2-Phenylcyclopropane-1,1-dicarbonitrile
TL;DR: 2-Phenylcyclopropane-1,1-dicarbonitrile (CAS 6904-17-2) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylcyclopropane-1,1-dicarbonitrile
Also Known As: 2-phenylcyclopropane-1,1-dicarbonitrile, 1,1-Dicyano-2-phenylcyclopropane, 2-phenyl-1,1-cyclopropanedicarbonitrile, 2-phenyl-cyclopropane-1,1-dicarbonitrile
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 6904-17-2 |
|---|---|
| SMILES | C1C(C1(C#N)C#N)C2=CC=CC=C2 |
| InChIKey | IQNPJJYURMAFTQ-UHFFFAOYSA-N |
Product Overview
2-Phenylcyclopropane-1,1-dicarbonitrile (CAS 6904-17-2), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 2-phenylcyclopropane-1,1-dicarbonitrile.
Chemical Property Profile of 2-Phenylcyclopropane-1,1-dicarbonitrile
Property Insights of 2-Phenylcyclopropane-1,1-dicarbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylcyclopropane-1,1-dicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Phenylcyclopropane-1,1-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylcyclopropane-1,1-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-Phenylcyclopropane-1,1-dicarbonitrile?
The CAS number of 2-Phenylcyclopropane-1,1-dicarbonitrile is 6904-17-2.
What is the molecular formula of 2-Phenylcyclopropane-1,1-dicarbonitrile?
The molecular formula of 2-Phenylcyclopropane-1,1-dicarbonitrile is C11H8N2.
What is the molecular weight of 2-Phenylcyclopropane-1,1-dicarbonitrile?
The molecular weight of 2-Phenylcyclopropane-1,1-dicarbonitrile is 168.07 g/mol.
Where can I buy 2-Phenylcyclopropane-1,1-dicarbonitrile?
You can request a quote for 2-Phenylcyclopropane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylcyclopropane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylcyclopropane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.