![5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one structure](/static/products/843/84319-72-2.png)
5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one
TL;DR: 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one (CAS 84319-72-2) is a chemical compound with molecular formula C13H14Cl2O and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-one
Also Known As: 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one, (E)-1-(3,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-one, (1E)-1-(3,4-Dichlorophenyl)-4,4-dimethyl-1-penten-3-one #, (1E)-1-(3,4-DICHLOROPHENYL)-4,4-DIMETHYLPENT-1-EN-3-ONE
| Molecular Formula | C13H14Cl2O |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 4.6218 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.04218 |
| Heavy Atoms | 16 |
| Complexity | 428.049 |
Chemical Identifiers
| CAS Number | 84319-72-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl |
Product Overview
5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one (CAS 84319-72-2), with molecular formula C13H14Cl2O and molecular weight 256.04 g/mol. IUPAC: (E)-1-(3,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one
Property Insights of 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one
The XLogP value of 4.6218 indicates that 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-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-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one?
The CAS number of 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one is 84319-72-2.
What is the molecular formula of 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one?
The molecular formula of 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one is C13H14Cl2O.
What is the molecular weight of 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one?
The molecular weight of 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one is 256.04 g/mol.
Where can I buy 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one?
You can request a quote for 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-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-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.