2,4,4'-Trihydroxydeoxybenzoin
TL;DR: 2,4,4'-Trihydroxydeoxybenzoin (CAS 423150-69-0) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone
Also Known As: 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone, 1- -2- ethanone, 2,4,4'-trihydroxy deoxybenzoin, 2,4,4'-Trihydroxydeoxybenzoin, 2,4,4'-Trihydroxydesoxybenzoin
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 423150-69-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)O |
| InChIKey | KLFCJXAPIFIIFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4'-Trihydroxydeoxybenzoin (CAS 423150-69-0), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone.
Chemical Property Profile of 2,4,4'-Trihydroxydeoxybenzoin
Property Insights of 2,4,4'-Trihydroxydeoxybenzoin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4'-Trihydroxydeoxybenzoin. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,4'-Trihydroxydeoxybenzoin. Following Lipinski's Rule of Five, 2,4,4'-Trihydroxydeoxybenzoin 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 2,4,4'-Trihydroxydeoxybenzoin?
The CAS number of 2,4,4'-Trihydroxydeoxybenzoin is 423150-69-0.
What is the molecular formula of 2,4,4'-Trihydroxydeoxybenzoin?
The molecular formula of 2,4,4'-Trihydroxydeoxybenzoin is C14H12O4.
What is the molecular weight of 2,4,4'-Trihydroxydeoxybenzoin?
The molecular weight of 2,4,4'-Trihydroxydeoxybenzoin is 244.07 g/mol.
Where can I buy 2,4,4'-Trihydroxydeoxybenzoin?
You can request a quote for 2,4,4'-Trihydroxydeoxybenzoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4'-Trihydroxydeoxybenzoin?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4'-Trihydroxydeoxybenzoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.