Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-
TL;DR: Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl- (CAS 84055-67-4) is a chemical compound with molecular formula C14H12O7S and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzoyl-4-hydroxy-2-methoxyphenyl) hydrogen sulfate
Also Known As: Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-, J1.255.223H, 2-Hydroxy-4-methoxybenzophenone-5-sulphuric acid, 5-benzoyl-4-hydroxy-2-methoxyphenyl hydrogen sulfate, (5-benzoyl-4-hydroxy-2-methoxyphenyl) hydrogen sulfate
| Molecular Formula | C14H12O7S |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.03036 |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 84055-67-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)OS(=O)(=O)O |
| InChIKey | FUAMQXCTIUGPJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl- (CAS 84055-67-4), with molecular formula C14H12O7S and molecular weight 324.03 g/mol. IUPAC: (5-benzoyl-4-hydroxy-2-methoxyphenyl) hydrogen sulfate.
Chemical Property Profile of Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-
Property Insights of Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-. Following Lipinski's Rule of Five, Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl- has 2 hydrogen bond donor(s) and 7 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 Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-?
The CAS number of Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl- is 84055-67-4.
What is the molecular formula of Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-?
The molecular formula of Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl- is C14H12O7S.
What is the molecular weight of Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-?
The molecular weight of Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl- is 324.03 g/mol.
Where can I buy Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-?
You can request a quote for Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (2-hydroxy-4-methoxy-5-(sulfooxy)phenyl)phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.