2-Butanone, 3-(p-chlorophenyl)-3-methyl-
TL;DR: 2-Butanone, 3-(p-chlorophenyl)-3-methyl- (CAS 16703-39-2) 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.
3-(4-chlorophenyl)-3-methylbutan-2-one
Also Known As: 3-(4-chlorophenyl)-3-methylbutan-2-one, 2-BUTANONE, 3-(p-CHLOROPHENYL)-3-METHYL-, 2-Methyl-2-(p-chlorophenyl)-3-butanone, 3-(p-Chlorophenyl)-3-methyl-2-butanone, 3-methyl-3-p-tolylbutan-2-one
| Molecular Formula | C11H13ClO |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06549 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 16703-39-2 |
|---|---|
| SMILES | CC(=O)C(C)(C)C1=CC=C(C=C1)Cl |
| InChIKey | BVYURCFIUPFFDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanone, 3-(p-chlorophenyl)-3-methyl- (CAS 16703-39-2), with molecular formula C11H13ClO and molecular weight 196.07 g/mol. IUPAC: 3-(4-chlorophenyl)-3-methylbutan-2-one.
Chemical Property Profile of 2-Butanone, 3-(p-chlorophenyl)-3-methyl-
Property Insights of 2-Butanone, 3-(p-chlorophenyl)-3-methyl-
The XLogP value of 3.1 indicates that 2-Butanone, 3-(p-chlorophenyl)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butanone, 3-(p-chlorophenyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3-(p-chlorophenyl)-3-methyl- 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 2-Butanone, 3-(p-chlorophenyl)-3-methyl-?
The CAS number of 2-Butanone, 3-(p-chlorophenyl)-3-methyl- is 16703-39-2.
What is the molecular formula of 2-Butanone, 3-(p-chlorophenyl)-3-methyl-?
The molecular formula of 2-Butanone, 3-(p-chlorophenyl)-3-methyl- is C11H13ClO.
What is the molecular weight of 2-Butanone, 3-(p-chlorophenyl)-3-methyl-?
The molecular weight of 2-Butanone, 3-(p-chlorophenyl)-3-methyl- is 196.07 g/mol.
Where can I buy 2-Butanone, 3-(p-chlorophenyl)-3-methyl-?
You can request a quote for 2-Butanone, 3-(p-chlorophenyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-(p-chlorophenyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-(p-chlorophenyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.