丹皮酚
TL;DR: 丹皮酚 (CAS 552-41-0) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹皮酚
1-(2-hydroxy-4-methoxyphenyl)ethanone
Also Known As: PAEONOL, Peonol, 2'-Hydroxy-4'-methoxyacetophenone, 1-(2-Hydroxy-4-methoxyphenyl)ethanone, 2-Hydroxy-4-methoxyacetophenone
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| Vapor Pressure | 0.000683 [mmHg] |
Chemical Identifiers
| CAS Number | 552-41-0 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)O |
| InChIKey | UILPJVPSNHJFIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丹皮酚 (CAS 552-41-0), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 1-(2-hydroxy-4-methoxyphenyl)ethanone.
Chemical Property Profile of 丹皮酚
Property Insights of 丹皮酚
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丹皮酚. With a topological polar surface area (TPSA) of 46.5 Ų, 丹皮酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丹皮酚 has 1 hydrogen bond donor(s) and 3 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 丹皮酚?
The CAS number of 丹皮酚 is 552-41-0.
What is the molecular formula of 丹皮酚?
The molecular formula of 丹皮酚 is C9H10O3.
What is the molecular weight of 丹皮酚?
The molecular weight of 丹皮酚 is 166.06 g/mol.
Where can I buy 丹皮酚?
You can request a quote for 丹皮酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹皮酚?
Yes, KEHONG BIO provides custom synthesis services for 丹皮酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.