2',4',5'-Trihydroxybutyrophenone
TL;DR: 2',4',5'-Trihydroxybutyrophenone (CAS 1421-63-2) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,5-trihydroxyphenyl)butan-1-one
Also Known As: Thbp, 2,4,5-TRIHYDROXYBUTYROPHENONE, 1-(2,4,5-trihydroxyphenyl)butan-1-one, 2',4',5'-Trihydroxybutyrophenone, USAF EK
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
| Melting Point | 149-153 °C |
| Solubility | VERY SLIGHTLY SOL IN WATER; SOL IN ALC & PROPYLENE GLYCOL |
Chemical Identifiers
| CAS Number | 1421-63-2 |
|---|---|
| SMILES | CCCC(=O)C1=CC(=C(C=C1O)O)O |
| InChIKey | SRUQARLMFOLRDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',4',5'-Trihydroxybutyrophenone (CAS 1421-63-2), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 1-(2,4,5-trihydroxyphenyl)butan-1-one.
Chemical Property Profile of 2',4',5'-Trihydroxybutyrophenone
Property Insights of 2',4',5'-Trihydroxybutyrophenone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',4',5'-Trihydroxybutyrophenone. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',4',5'-Trihydroxybutyrophenone. Following Lipinski's Rule of Five, 2',4',5'-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 2',4',5'-Trihydroxybutyrophenone?
The CAS number of 2',4',5'-Trihydroxybutyrophenone is 1421-63-2.
What is the molecular formula of 2',4',5'-Trihydroxybutyrophenone?
The molecular formula of 2',4',5'-Trihydroxybutyrophenone is C10H12O4.
What is the molecular weight of 2',4',5'-Trihydroxybutyrophenone?
The molecular weight of 2',4',5'-Trihydroxybutyrophenone is 196.07 g/mol.
Where can I buy 2',4',5'-Trihydroxybutyrophenone?
You can request a quote for 2',4',5'-Trihydroxybutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',4',5'-Trihydroxybutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 2',4',5'-Trihydroxybutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.