1-(3,4-Dichlorophenyl)pentan-1-one
TL;DR: 1-(3,4-Dichlorophenyl)pentan-1-one (CAS 68329-74-8) is a chemical compound with molecular formula C11H12Cl2O and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)pentan-1-one
Also Known As: 1-(3,4-dichlorophenyl)pentan-1-one, 3',4'-Dichlorovalerophenone, 1-(3,4-DICHLORO-PHENYL)-PENTAN-1-ONE, 1-Pentanone, 1-(3,4-dichlorophenyl)-, 1-(3,4-Dichlorophenyl)-1-pentanone
| Molecular Formula | C11H12Cl2O |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 4.3663 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.02652 |
| Heavy Atoms | 14 |
| Complexity | 334.05945 |
Chemical Identifiers
| CAS Number | 68329-74-8 |
|---|---|
| SMILES | CCCCC(=O)C1=CC(=C(C=C1)Cl)Cl |
Product Overview
1-(3,4-Dichlorophenyl)pentan-1-one (CAS 68329-74-8), with molecular formula C11H12Cl2O and molecular weight 230.03 g/mol. IUPAC: 1-(3,4-dichlorophenyl)pentan-1-one.
Chemical Property Profile of 1-(3,4-Dichlorophenyl)pentan-1-one
Property Insights of 1-(3,4-Dichlorophenyl)pentan-1-one
The XLogP value of 4.3663 indicates that 1-(3,4-Dichlorophenyl)pentan-1-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, 1-(3,4-Dichlorophenyl)pentan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)pentan-1-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 1-(3,4-Dichlorophenyl)pentan-1-one?
The CAS number of 1-(3,4-Dichlorophenyl)pentan-1-one is 68329-74-8.
What is the molecular formula of 1-(3,4-Dichlorophenyl)pentan-1-one?
The molecular formula of 1-(3,4-Dichlorophenyl)pentan-1-one is C11H12Cl2O.
What is the molecular weight of 1-(3,4-Dichlorophenyl)pentan-1-one?
The molecular weight of 1-(3,4-Dichlorophenyl)pentan-1-one is 230.03 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)pentan-1-one?
You can request a quote for 1-(3,4-Dichlorophenyl)pentan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorophenyl)pentan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorophenyl)pentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.