4-Chloro-2',4',6'-trihydroxybutyrophenone
TL;DR: 4-Chloro-2',4',6'-trihydroxybutyrophenone (CAS 85614-45-5) is a chemical compound with molecular formula C10H11ClO4 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(2,4,6-trihydroxyphenyl)butan-1-one
Also Known As: EINECS 287-931-8, 4-Chloro-2',4',6'-trihydroxybutyrophenone, 4-chloro-1-(2,4,6-trihydroxyphenyl)butan-1-one, 4-Chloro-1-(2,4,6-trihydroxyphenyl)-1-butanone, 1-Butanone,4-chloro-1-(2,4,6-trihydroxyphenyl)-
| Molecular Formula | C10H11ClO4 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 2.0051 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.03459 |
| Heavy Atoms | 15 |
| Complexity | 352.6803 |
Chemical Identifiers
| CAS Number | 85614-45-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)C(=O)CCCCl)O)O |
Product Overview
4-Chloro-2',4',6'-trihydroxybutyrophenone (CAS 85614-45-5), with molecular formula C10H11ClO4 and molecular weight 230.03 g/mol. IUPAC: 4-chloro-1-(2,4,6-trihydroxyphenyl)butan-1-one.
Chemical Property Profile of 4-Chloro-2',4',6'-trihydroxybutyrophenone
Property Insights of 4-Chloro-2',4',6'-trihydroxybutyrophenone
The XLogP value of 2.0051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2',4',6'-trihydroxybutyrophenone. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2',4',6'-trihydroxybutyrophenone. Following Lipinski's Rule of Five, 4-Chloro-2',4',6'-trihydroxybutyrophenone has 3 hydrogen bond donor(s) and 4 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 4-Chloro-2',4',6'-trihydroxybutyrophenone?
The CAS number of 4-Chloro-2',4',6'-trihydroxybutyrophenone is 85614-45-5.
What is the molecular formula of 4-Chloro-2',4',6'-trihydroxybutyrophenone?
The molecular formula of 4-Chloro-2',4',6'-trihydroxybutyrophenone is C10H11ClO4.
What is the molecular weight of 4-Chloro-2',4',6'-trihydroxybutyrophenone?
The molecular weight of 4-Chloro-2',4',6'-trihydroxybutyrophenone is 230.03 g/mol.
Where can I buy 4-Chloro-2',4',6'-trihydroxybutyrophenone?
You can request a quote for 4-Chloro-2',4',6'-trihydroxybutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2',4',6'-trihydroxybutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2',4',6'-trihydroxybutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.