1'-Sulfoxysafrole
TL;DR: 1'-Sulfoxysafrole (CAS 64283-19-8) is a chemical compound with molecular formula C10H10O6S and molecular weight 258.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)prop-2-enyl hydrogen sulfate
Also Known As: 1'-Sulfooxysafrole, 1'-Sulfoxysafrole, benzo[c]acridine-10-carboxylic acid, 1-(1,3-benzodioxol-5-yl)prop-2-enyl hydrogen sulfate, 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, hydrogen sulfate
| Molecular Formula | C10H10O6S |
|---|---|
| Molecular Weight | 258.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0198 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 64283-19-8 |
|---|---|
| SMILES | C=CC(C1=CC2=C(C=C1)OCO2)OS(=O)(=O)O |
| InChIKey | UMODRLCASVODSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1'-Sulfoxysafrole (CAS 64283-19-8), with molecular formula C10H10O6S and molecular weight 258.02 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)prop-2-enyl hydrogen sulfate.
Chemical Property Profile of 1'-Sulfoxysafrole
Property Insights of 1'-Sulfoxysafrole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-Sulfoxysafrole. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-Sulfoxysafrole. Following Lipinski's Rule of Five, 1'-Sulfoxysafrole 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 1'-Sulfoxysafrole?
The CAS number of 1'-Sulfoxysafrole is 64283-19-8.
What is the molecular formula of 1'-Sulfoxysafrole?
The molecular formula of 1'-Sulfoxysafrole is C10H10O6S.
What is the molecular weight of 1'-Sulfoxysafrole?
The molecular weight of 1'-Sulfoxysafrole is 258.02 g/mol.
Where can I buy 1'-Sulfoxysafrole?
You can request a quote for 1'-Sulfoxysafrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-Sulfoxysafrole?
Yes, KEHONG BIO provides custom synthesis services for 1'-Sulfoxysafrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.