Axillarin 7-sulfate
TL;DR: Axillarin 7-sulfate (CAS 737749-32-5) is a chemical compound with molecular formula C17H14O11S and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] hydrogen sulfate
Also Known As: Centaradixin, Axillarin 7-sulfate, Quercetagetin 3,6-dimethyl ether 7-sulfate, J1.816.545G, [2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] hydrogen sulfate
| Molecular Formula | C17H14O11S |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 1.7756 |
| Topological Polar Surface Area | 172.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.0257 |
| Heavy Atoms | 29 |
| Complexity | 1275.0044 |
Chemical Identifiers
| CAS Number | 737749-32-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OS(=O)(=O)O |
Product Overview
Axillarin 7-sulfate (CAS 737749-32-5), with molecular formula C17H14O11S and molecular weight 426.03 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] hydrogen sulfate.
Chemical Property Profile of Axillarin 7-sulfate
Property Insights of Axillarin 7-sulfate
The XLogP value of 1.7756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Axillarin 7-sulfate. The TPSA of 172.96 Ų indicates high polarity, suggesting Axillarin 7-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Axillarin 7-sulfate has 4 hydrogen bond donor(s) and 10 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 Axillarin 7-sulfate?
The CAS number of Axillarin 7-sulfate is 737749-32-5.
What is the molecular formula of Axillarin 7-sulfate?
The molecular formula of Axillarin 7-sulfate is C17H14O11S.
What is the molecular weight of Axillarin 7-sulfate?
The molecular weight of Axillarin 7-sulfate is 426.03 g/mol.
Where can I buy Axillarin 7-sulfate?
You can request a quote for Axillarin 7-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Axillarin 7-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Axillarin 7-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.