1-(4-Chlorophenyl)cyclobutanecarbonitrile
TL;DR: 1-(4-Chlorophenyl)cyclobutanecarbonitrile (CAS 28049-61-8) is a chemical compound with molecular formula C11H10ClN and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)cyclobutane-1-carbonitrile
Also Known As: 1-(4-Chlorophenyl)cyclobutanecarbonitrile, 1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile, CCBC, 1-(4-chlorophenyl)cyclobutane-1-carbonitrile, Sibutramine Impurity 34
| Molecular Formula | C11H10ClN |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05017 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 28049-61-8 |
|---|---|
| SMILES | C1CC(C1)(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | XQONXPWVIZZJIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)cyclobutanecarbonitrile (CAS 28049-61-8), with molecular formula C11H10ClN and molecular weight 191.05 g/mol. IUPAC: 1-(4-chlorophenyl)cyclobutane-1-carbonitrile.
Chemical Property Profile of 1-(4-Chlorophenyl)cyclobutanecarbonitrile
Property Insights of 1-(4-Chlorophenyl)cyclobutanecarbonitrile
The XLogP value of 3.1 indicates that 1-(4-Chlorophenyl)cyclobutanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(4-Chlorophenyl)cyclobutanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)cyclobutanecarbonitrile 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 1-(4-Chlorophenyl)cyclobutanecarbonitrile?
The CAS number of 1-(4-Chlorophenyl)cyclobutanecarbonitrile is 28049-61-8.
What is the molecular formula of 1-(4-Chlorophenyl)cyclobutanecarbonitrile?
The molecular formula of 1-(4-Chlorophenyl)cyclobutanecarbonitrile is C11H10ClN.
What is the molecular weight of 1-(4-Chlorophenyl)cyclobutanecarbonitrile?
The molecular weight of 1-(4-Chlorophenyl)cyclobutanecarbonitrile is 191.05 g/mol.
Where can I buy 1-(4-Chlorophenyl)cyclobutanecarbonitrile?
You can request a quote for 1-(4-Chlorophenyl)cyclobutanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)cyclobutanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)cyclobutanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.