3-(4-Chlorophenoxy)-2-butanone
TL;DR: 3-(4-Chlorophenoxy)-2-butanone (CAS 3782-11-4) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenoxy)butan-2-one
Also Known As: 3-(4-chlorophenoxy)-2-butanone, 3-(4-chlorophenoxy)butan-2-one, 2-Butanone, 3-(4-chlorophenoxy)-, RefChem:274458
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.6963 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 292.29797 |
Chemical Identifiers
| CAS Number | 3782-11-4 |
|---|---|
| SMILES | CC(C(=O)C)OC1=CC=C(C=C1)Cl |
Product Overview
3-(4-Chlorophenoxy)-2-butanone (CAS 3782-11-4), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 3-(4-chlorophenoxy)butan-2-one.
Chemical Property Profile of 3-(4-Chlorophenoxy)-2-butanone
Property Insights of 3-(4-Chlorophenoxy)-2-butanone
The XLogP value of 2.6963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenoxy)-2-butanone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(4-Chlorophenoxy)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenoxy)-2-butanone 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 3-(4-Chlorophenoxy)-2-butanone?
The CAS number of 3-(4-Chlorophenoxy)-2-butanone is 3782-11-4.
What is the molecular formula of 3-(4-Chlorophenoxy)-2-butanone?
The molecular formula of 3-(4-Chlorophenoxy)-2-butanone is C10H11ClO2.
What is the molecular weight of 3-(4-Chlorophenoxy)-2-butanone?
The molecular weight of 3-(4-Chlorophenoxy)-2-butanone is 198.04 g/mol.
Where can I buy 3-(4-Chlorophenoxy)-2-butanone?
You can request a quote for 3-(4-Chlorophenoxy)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenoxy)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenoxy)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.