3',4',5'-Trihydroxyacetophenone
TL;DR: 3',4',5'-Trihydroxyacetophenone (CAS 33709-29-4) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trihydroxyphenyl)ethanone
Also Known As: 1-(3,4,5-trihydroxyphenyl)ethanone, 3,4,5-Trihydroxyacetophenone, 1-(3,4,5-trihydroxyphenyl)ethan-1-one, Ethanone,1-(3,4,5-trihydroxyphenyl)-, ACETOPHENONE, 3,4,5-TRIHYDROXY-
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 33709-29-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | IBKQQKPQRYUGBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3',4',5'-Trihydroxyacetophenone (CAS 33709-29-4), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 1-(3,4,5-trihydroxyphenyl)ethanone.
Chemical Property Profile of 3',4',5'-Trihydroxyacetophenone
Property Insights of 3',4',5'-Trihydroxyacetophenone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4',5'-Trihydroxyacetophenone. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',4',5'-Trihydroxyacetophenone. Following Lipinski's Rule of Five, 3',4',5'-Trihydroxyacetophenone 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 3',4',5'-Trihydroxyacetophenone?
The CAS number of 3',4',5'-Trihydroxyacetophenone is 33709-29-4.
What is the molecular formula of 3',4',5'-Trihydroxyacetophenone?
The molecular formula of 3',4',5'-Trihydroxyacetophenone is C8H8O4.
What is the molecular weight of 3',4',5'-Trihydroxyacetophenone?
The molecular weight of 3',4',5'-Trihydroxyacetophenone is 168.04 g/mol.
Where can I buy 3',4',5'-Trihydroxyacetophenone?
You can request a quote for 3',4',5'-Trihydroxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4',5'-Trihydroxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3',4',5'-Trihydroxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.