丹皮酚硫酸酯
TL;DR: 丹皮酚硫酸酯 (CAS 74936-22-4) is a chemical compound with molecular formula C9H10O6S and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹皮酚硫酸酯
(2-acetyl-5-methoxyphenyl) hydrogen sulfate
Also Known As: Paeonol sulfate, 1-acetyl-4-methoxy-2-sulfooxy-benzene, 1-[4-Methoxy-2-(sulfooxy)phenyl]ethanone, (2-acetyl-5-methoxyphenyl) hydrogen sulfate, J1.165.030I
| Molecular Formula | C9H10O6S |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0198 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 74936-22-4 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)OS(=O)(=O)O |
| InChIKey | RSQFVCRSJCQZST-UHFFFAOYSA-N |
Product Overview
丹皮酚硫酸酯 (CAS 74936-22-4), with molecular formula C9H10O6S and molecular weight 246.02 g/mol. IUPAC: (2-acetyl-5-methoxyphenyl) hydrogen sulfate.
Chemical Property Profile of 丹皮酚硫酸酯
Property Insights of 丹皮酚硫酸酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丹皮酚硫酸酯. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 丹皮酚硫酸酯. Following Lipinski's Rule of Five, 丹皮酚硫酸酯 has 1 hydrogen bond donor(s) and 6 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 丹皮酚硫酸酯?
The CAS number of 丹皮酚硫酸酯 is 74936-22-4.
What is the molecular formula of 丹皮酚硫酸酯?
The molecular formula of 丹皮酚硫酸酯 is C9H10O6S.
What is the molecular weight of 丹皮酚硫酸酯?
The molecular weight of 丹皮酚硫酸酯 is 246.02 g/mol.
Where can I buy 丹皮酚硫酸酯?
You can request a quote for 丹皮酚硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹皮酚硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丹皮酚硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.