2-Phenylcyclopropanecarbonitrile
TL;DR: 2-Phenylcyclopropanecarbonitrile (CAS 4660-02-0) is a chemical compound with molecular formula C10H9N and molecular weight 143.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylcyclopropane-1-carbonitrile
Also Known As: 2-Phenylcyclopropanecarbonitrile, 2-phenylcyclopropane-1-carbonitrile, 1-phenyl-2-cyano-cyclopropane, 2-Phenylcyclopropanecarbonitrile trans-, Cyclopropanecarbonitrile, 2-phenyl-
| Molecular Formula | C10H9N |
|---|---|
| Molecular Weight | 143.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.0735 |
| Heavy Atoms | 11 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 4660-02-0 |
|---|---|
| SMILES | C1C(C1C2=CC=CC=C2)C#N |
| InChIKey | KUCVFITUDJTMFA-UHFFFAOYSA-N |
Product Overview
2-Phenylcyclopropanecarbonitrile (CAS 4660-02-0), with molecular formula C10H9N and molecular weight 143.07 g/mol. IUPAC: 2-phenylcyclopropane-1-carbonitrile.
Chemical Property Profile of 2-Phenylcyclopropanecarbonitrile
Property Insights of 2-Phenylcyclopropanecarbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylcyclopropanecarbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Phenylcyclopropanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylcyclopropanecarbonitrile has 0 hydrogen bond donor(s) and 1 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-Phenylcyclopropanecarbonitrile?
The CAS number of 2-Phenylcyclopropanecarbonitrile is 4660-02-0.
What is the molecular formula of 2-Phenylcyclopropanecarbonitrile?
The molecular formula of 2-Phenylcyclopropanecarbonitrile is C10H9N.
What is the molecular weight of 2-Phenylcyclopropanecarbonitrile?
The molecular weight of 2-Phenylcyclopropanecarbonitrile is 143.07 g/mol.
Where can I buy 2-Phenylcyclopropanecarbonitrile?
You can request a quote for 2-Phenylcyclopropanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylcyclopropanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylcyclopropanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.