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Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-
TL;DR: Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- (CAS 62584-74-1) is a chemical compound with molecular formula C16H12ClNO and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-chlorophenyl)-3-oxopropyl]benzonitrile
Also Known As: 4-[3-(4-chlorophenyl)-3-oxopropyl]benzonitrile, Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-, J3.183.408B, 1-(4-Chlorophenyl)-3-(4-cyanophenyl)-1-propanone
| Molecular Formula | C16H12ClNO |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 4.02718 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06073 |
| Heavy Atoms | 19 |
| Complexity | 608.6923 |
Chemical Identifiers
| CAS Number | 62584-74-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)C2=CC=C(C=C2)Cl)C#N |
Product Overview
Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- (CAS 62584-74-1), with molecular formula C16H12ClNO and molecular weight 269.06 g/mol. IUPAC: 4-[3-(4-chlorophenyl)-3-oxopropyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-
Property Insights of Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-
The XLogP value of 4.02718 indicates that Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- 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 Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-?
The CAS number of Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- is 62584-74-1.
What is the molecular formula of Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-?
The molecular formula of Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- is C16H12ClNO.
What is the molecular weight of Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-?
The molecular weight of Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- is 269.06 g/mol.
Where can I buy Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-?
You can request a quote for Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.