5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one
TL;DR: 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one (CAS 1577-03-3) is a chemical compound with molecular formula C13H15ClO and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
Also Known As: 4-Chlorobenzalpinacolone, 4-chlorobenzal pinacolone, 1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one, 4,4-Dimethyl-1-(p-chlorophenyl)-1-penten-3-one, 5-(4-chlorophenyl)-2,2-dimethylpent-4-en-3-one
| Molecular Formula | C13H15ClO |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.08115 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1577-03-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=CC1=CC=C(C=C1)Cl |
| InChIKey | LXJZYHPGRKBVGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one (CAS 1577-03-3), with molecular formula C13H15ClO and molecular weight 222.08 g/mol. IUPAC: 1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one
Property Insights of 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one
The XLogP value of 4.1 indicates that 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one 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 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one?
The CAS number of 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one is 1577-03-3.
What is the molecular formula of 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one?
The molecular formula of 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one is C13H15ClO.
What is the molecular weight of 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one?
The molecular weight of 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one is 222.08 g/mol.
Where can I buy 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one?
You can request a quote for 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-2,2-dimethylpent-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.