乙酰丁香酮
TL;DR: 乙酰丁香酮 (CAS 2478-38-8) 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.
乙酰丁香酮
1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
Also Known As: Acetosyringone, 3',5'-Dimethoxy-4'-hydroxyacetophenone, Acetosyringenin, Acetosyringon, 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
| Melting Point | 124.0 |
| GHS Signal | Warning |
| H-Statements | H315, H319, H335 |
Chemical Identifiers
| CAS Number | 2478-38-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1)OC)O)OC |
| InChIKey | OJOBTAOGJIWAGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰丁香酮 (CAS 2478-38-8), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone.
Chemical Property Profile of 乙酰丁香酮
Property Insights of 乙酰丁香酮
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰丁香酮. With a topological polar surface area (TPSA) of 55.8 Ų, 乙酰丁香酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰丁香酮 has 1 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 乙酰丁香酮?
The CAS number of 乙酰丁香酮 is 2478-38-8.
What is the molecular formula of 乙酰丁香酮?
The molecular formula of 乙酰丁香酮 is C10H12O4.
What is the molecular weight of 乙酰丁香酮?
The molecular weight of 乙酰丁香酮 is 196.07 g/mol.
Where can I buy 乙酰丁香酮?
You can request a quote for 乙酰丁香酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰丁香酮?
Yes, KEHONG BIO provides custom synthesis services for 乙酰丁香酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.