4'-Chlorobutyrophenone
TL;DR: 4'-Chlorobutyrophenone (CAS 4981-63-9) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)butan-1-one
Also Known As: 4'-Chlorobutyrophenone, 1-(4-chlorophenyl)butan-1-one, p-Chlorobutyrophenone, 1-Butanone, 1-(4-chlorophenyl)-, 1-(4-Chlorophenyl)-1-butanone
| Molecular Formula | C10H11ClO |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04984 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 4981-63-9 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | XLCJPQYALLFIPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Chlorobutyrophenone (CAS 4981-63-9), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: 1-(4-chlorophenyl)butan-1-one.
Chemical Property Profile of 4'-Chlorobutyrophenone
Property Insights of 4'-Chlorobutyrophenone
The XLogP value of 3.1 indicates that 4'-Chlorobutyrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-Chlorobutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chlorobutyrophenone 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 4'-Chlorobutyrophenone?
The CAS number of 4'-Chlorobutyrophenone is 4981-63-9.
What is the molecular formula of 4'-Chlorobutyrophenone?
The molecular formula of 4'-Chlorobutyrophenone is C10H11ClO.
What is the molecular weight of 4'-Chlorobutyrophenone?
The molecular weight of 4'-Chlorobutyrophenone is 182.05 g/mol.
Where can I buy 4'-Chlorobutyrophenone?
You can request a quote for 4'-Chlorobutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chlorobutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chlorobutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.