4-Chloro-4'-methylbutyrophenone
TL;DR: 4-Chloro-4'-methylbutyrophenone (CAS 38425-26-2) is a chemical compound with molecular formula C11H13ClO and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-methylphenyl)butan-1-one
Also Known As: 4-Chloro-4'-methylbutyrophenone, 4-Chloro-1-(p-tolyl)butan-1-one, 4-chloro-1-(4-methylphenyl)butan-1-one, 1-Butanone, 4-chloro-1-(4-methylphenyl)-, 4'-methyl-4-chlorobutyrophenone
| Molecular Formula | C11H13ClO |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.06549 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 38425-26-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCCCl |
| InChIKey | FUHGFUBJUUFMSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-4'-methylbutyrophenone (CAS 38425-26-2), with molecular formula C11H13ClO and molecular weight 196.07 g/mol. IUPAC: 4-chloro-1-(4-methylphenyl)butan-1-one.
Chemical Property Profile of 4-Chloro-4'-methylbutyrophenone
Property Insights of 4-Chloro-4'-methylbutyrophenone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-4'-methylbutyrophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Chloro-4'-methylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-4'-methylbutyrophenone 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'-methylbutyrophenone?
The CAS number of 4-Chloro-4'-methylbutyrophenone is 38425-26-2.
What is the molecular formula of 4-Chloro-4'-methylbutyrophenone?
The molecular formula of 4-Chloro-4'-methylbutyrophenone is C11H13ClO.
What is the molecular weight of 4-Chloro-4'-methylbutyrophenone?
The molecular weight of 4-Chloro-4'-methylbutyrophenone is 196.07 g/mol.
Where can I buy 4-Chloro-4'-methylbutyrophenone?
You can request a quote for 4-Chloro-4'-methylbutyrophenone 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'-methylbutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-4'-methylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.