2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile
TL;DR: 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile (CAS 344281-16-9) is a chemical compound with molecular formula C17H14ClNO and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile
Also Known As: 2-(4-chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile, 7J-569S, 2-(4-chlorophenyl)-4-(m-tolyl)-4-oxo-butanenitrile
| Molecular Formula | C17H14ClNO |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 4.5286 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0764 |
| Heavy Atoms | 20 |
| Complexity | 655.43536 |
Chemical Identifiers
| CAS Number | 344281-16-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)CC(C#N)C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile (CAS 344281-16-9), with molecular formula C17H14ClNO and molecular weight 283.08 g/mol. IUPAC: 2-(4-chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile
Property Insights of 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile
The XLogP value of 4.5286 indicates that 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile 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-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile?
The CAS number of 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile is 344281-16-9.
What is the molecular formula of 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile?
The molecular formula of 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile is C17H14ClNO.
What is the molecular weight of 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile?
The molecular weight of 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile is 283.08 g/mol.
Where can I buy 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile?
You can request a quote for 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-4-(3-methylphenyl)-4-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.