没食子苯乙酮
TL;DR: 没食子苯乙酮 (CAS 528-21-2) 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.
没食子苯乙酮
1-(2,3,4-trihydroxyphenyl)ethanone
Also Known As: Gallacetophenone, 1-(2,3,4-Trihydroxyphenyl)ethanone, Galloacetophenone, Alizarine Yellow C, Alizarin Yellow C
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.1 |
| 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 | 180.0 |
Chemical Identifiers
| CAS Number | 528-21-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=C(C=C1)O)O)O |
| InChIKey | XIROXSOOOAZHLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
没食子苯乙酮 (CAS 528-21-2), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 1-(2,3,4-trihydroxyphenyl)ethanone.
Chemical Property Profile of 没食子苯乙酮
Property Insights of 没食子苯乙酮
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 没食子苯乙酮. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 没食子苯乙酮. Following Lipinski's Rule of Five, 没食子苯乙酮 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 没食子苯乙酮?
The CAS number of 没食子苯乙酮 is 528-21-2.
What is the molecular formula of 没食子苯乙酮?
The molecular formula of 没食子苯乙酮 is C8H8O4.
What is the molecular weight of 没食子苯乙酮?
The molecular weight of 没食子苯乙酮 is 168.04 g/mol.
Where can I buy 没食子苯乙酮?
You can request a quote for 没食子苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 没食子苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 没食子苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.