2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile
TL;DR: 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile (CAS 94360-61-9) is a chemical compound with molecular formula C19H14N2O and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile
Also Known As: 2-(4-methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile, 2-(4-methylbenzoyl)-3-phenyl-cyclopropane-1,1-dicarbonitrile
| Molecular Formula | C19H14N2O |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 3.62488 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.11063 |
| Heavy Atoms | 22 |
| Complexity | 780.0691 |
Chemical Identifiers
| CAS Number | 94360-61-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2C(C2(C#N)C#N)C3=CC=CC=C3 |
Product Overview
2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile (CAS 94360-61-9), with molecular formula C19H14N2O and molecular weight 286.11 g/mol. IUPAC: 2-(4-methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile.
Chemical Property Profile of 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile
Property Insights of 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile
The XLogP value of 3.62488 indicates that 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile 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 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile?
The CAS number of 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile is 94360-61-9.
What is the molecular formula of 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile?
The molecular formula of 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile is C19H14N2O.
What is the molecular weight of 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile?
The molecular weight of 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile is 286.11 g/mol.
Where can I buy 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile?
You can request a quote for 2-(4-Methylbenzoyl)-3-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-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylbenzoyl)-3-phenylcyclopropane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.