2,4-二氯苯乙酮
TL;DR: 2,4-二氯苯乙酮 (CAS 2234-16-4) is a chemical compound with molecular formula C8H6Cl2O and molecular weight 187.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二氯苯乙酮
1-(2,4-dichlorophenyl)ethanone
Also Known As: 2',4'-Dichloroacetophenone, 1-(2,4-Dichlorophenyl)ethanone, 2,4-Dichloroacetophenone, 1-(2,4-Dichlorophenyl)ethan-1-one, Ethanone, 1-(2,4-dichlorophenyl)-
| Molecular Formula | C8H6Cl2O |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.97957 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 2234-16-4 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)Cl)Cl |
| InChIKey | XMCRWEBERCXJCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二氯苯乙酮 (CAS 2234-16-4), with molecular formula C8H6Cl2O and molecular weight 187.98 g/mol. IUPAC: 1-(2,4-dichlorophenyl)ethanone.
Chemical Property Profile of 2,4-二氯苯乙酮
Property Insights of 2,4-二氯苯乙酮
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二氯苯乙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4-二氯苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-二氯苯乙酮 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 2,4-二氯苯乙酮?
The CAS number of 2,4-二氯苯乙酮 is 2234-16-4.
What is the molecular formula of 2,4-二氯苯乙酮?
The molecular formula of 2,4-二氯苯乙酮 is C8H6Cl2O.
What is the molecular weight of 2,4-二氯苯乙酮?
The molecular weight of 2,4-二氯苯乙酮 is 187.98 g/mol.
Where can I buy 2,4-二氯苯乙酮?
You can request a quote for 2,4-二氯苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二氯苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二氯苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.