4-Chloro-4'-ethylbutyrophenone
TL;DR: 4-Chloro-4'-ethylbutyrophenone (CAS 71526-83-5) is a chemical compound with molecular formula C12H15ClO and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-ethylphenyl)butan-1-one
Also Known As: 1-Cyclohexenylacetate, 4-Chloro-4'-ethylbutyrophenone, 4-chloro-1-(4-ethylphenyl)butan-1-one, 3-chloropropyl 4-ethylphenyl ketone, 4 -Ethyl-gamma-chlorobutyrophenone
| Molecular Formula | C12H15ClO |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.08115 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 71526-83-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)CCCCl |
| InChIKey | PTKKOYFXSPTUGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-4'-ethylbutyrophenone (CAS 71526-83-5), with molecular formula C12H15ClO and molecular weight 210.08 g/mol. IUPAC: 4-chloro-1-(4-ethylphenyl)butan-1-one.
Chemical Property Profile of 4-Chloro-4'-ethylbutyrophenone
Property Insights of 4-Chloro-4'-ethylbutyrophenone
The XLogP value of 3.3 indicates that 4-Chloro-4'-ethylbutyrophenone 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-Chloro-4'-ethylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-4'-ethylbutyrophenone 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-Chloro-4'-ethylbutyrophenone?
The CAS number of 4-Chloro-4'-ethylbutyrophenone is 71526-83-5.
What is the molecular formula of 4-Chloro-4'-ethylbutyrophenone?
The molecular formula of 4-Chloro-4'-ethylbutyrophenone is C12H15ClO.
What is the molecular weight of 4-Chloro-4'-ethylbutyrophenone?
The molecular weight of 4-Chloro-4'-ethylbutyrophenone is 210.08 g/mol.
Where can I buy 4-Chloro-4'-ethylbutyrophenone?
You can request a quote for 4-Chloro-4'-ethylbutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-4'-ethylbutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-4'-ethylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.