1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
TL;DR: 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile (CAS 65619-30-9) is a chemical compound with molecular formula C13H11Cl2NO and molecular weight 267.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile
Also Known As: 1-(3,4-dichlorophenyl)-4-oxocyclohexanecarbonitrile, 1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile, 4-CYANO-4-(3,4-DICHLOROPHENYL)CYCLOHEXANONE, 4-CYANO-4- CYCLOHEXANONE, 4-(p-bromophenyl)-4-cyanocyclohexanone
| Molecular Formula | C13H11Cl2NO |
|---|---|
| Molecular Weight | 267.02 g/mol |
| LogP | 3.89788 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.02176 |
| Heavy Atoms | 17 |
| Complexity | 494.6312 |
Chemical Identifiers
| CAS Number | 65619-30-9 |
|---|---|
| SMILES | C1CC(CCC1=O)(C#N)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile (CAS 65619-30-9), with molecular formula C13H11Cl2NO and molecular weight 267.02 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
Property Insights of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
The XLogP value of 3.89788 indicates that 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile 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 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile?
The CAS number of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile is 65619-30-9.
What is the molecular formula of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile?
The molecular formula of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile is C13H11Cl2NO.
What is the molecular weight of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile?
The molecular weight of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile is 267.02 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile?
You can request a quote for 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.