Detralfate
TL;DR: Detralfate (CAS 37209-31-7) is a chemical compound with molecular formula C12H22O25S5 and molecular weight 725.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5R,6R)-2-hydroxy-6-[[(2S,3R,4S,5R,6R)-5-hydroxy-6-methyl-3,4-disulfooxyoxan-2-yl]oxymethyl]-3,5-disulfooxyoxan-4-yl] hydrogen sulfate
Also Known As: Detralfate, Detralfato, Detralfatum, Detralfate [INN], Detralfato [INN-Spanish]
| Molecular Formula | C12H22O25S5 |
|---|---|
| Molecular Weight | 725.91 g/mol |
| LogP | -5.2341 |
| Topological Polar Surface Area | 386.15 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 725.9054 |
| Heavy Atoms | 42 |
| Complexity | 1483.6506 |
Chemical Identifiers
| CAS Number | 37209-31-7 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O |
Product Overview
Detralfate (CAS 37209-31-7), with molecular formula C12H22O25S5 and molecular weight 725.91 g/mol. IUPAC: [(2S,3R,4S,5R,6R)-2-hydroxy-6-[[(2S,3R,4S,5R,6R)-5-hydroxy-6-methyl-3,4-disulfooxyoxan-2-yl]oxymethyl]-3,5-disulfooxyoxan-4-yl] hydrogen sulfate.
Chemical Property Profile of Detralfate
Property Insights of Detralfate
The XLogP value of -5.2341 indicates that Detralfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.15 Ų indicates high polarity, suggesting Detralfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Detralfate has 7 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Detralfate?
The CAS number of Detralfate is 37209-31-7.
What is the molecular formula of Detralfate?
The molecular formula of Detralfate is C12H22O25S5.
What is the molecular weight of Detralfate?
The molecular weight of Detralfate is 725.91 g/mol.
Where can I buy Detralfate?
You can request a quote for Detralfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Detralfate?
Yes, KEHONG BIO provides custom synthesis services for Detralfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.