Sigetin
TL;DR: Sigetin (CAS 3563-47-1) is a chemical compound with molecular formula C18H20K2O6S2 and molecular weight 474.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;4-[4-(4-sulfonatophenyl)hexan-3-yl]benzenesulfonate
Also Known As: Sigetin, Sygethin, Sygetin, sygethin free acid, 3563-47-1 (potassium)
| Molecular Formula | C18H20K2O6S2 |
|---|---|
| Molecular Weight | 474.00 g/mol |
| LogP | -2.81 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.99756 |
| Heavy Atoms | 28 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 3563-47-1 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(CC)C2=CC=C(C=C2)S(=O)(=O)[O-].[K+].[K+] |
| InChIKey | BLMUAVFFONATJG-UHFFFAOYSA-L |
Product Overview
Sigetin (CAS 3563-47-1), with molecular formula C18H20K2O6S2 and molecular weight 474.00 g/mol. IUPAC: dipotassium;4-[4-(4-sulfonatophenyl)hexan-3-yl]benzenesulfonate.
Chemical Property Profile of Sigetin
Property Insights of Sigetin
The XLogP value of -2.81 indicates that Sigetin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sigetin. Following Lipinski's Rule of Five, Sigetin has 0 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 Sigetin?
The CAS number of Sigetin is 3563-47-1.
What is the molecular formula of Sigetin?
The molecular formula of Sigetin is C18H20K2O6S2.
What is the molecular weight of Sigetin?
The molecular weight of Sigetin is 474.00 g/mol.
Where can I buy Sigetin?
You can request a quote for Sigetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sigetin?
Yes, KEHONG BIO provides custom synthesis services for Sigetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.