Sulmarin disodium
TL;DR: Sulmarin disodium (CAS 1040-23-9) is a chemical compound with molecular formula C10H6Na2O10S2 and molecular weight 395.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(4-methyl-2-oxo-6-sulfonatooxychromen-7-yl) sulfate
Also Known As: Sulmarin disodium, SULMARIN DISODIUM [WHO-DD], Disodium (4-methyl-2-oxo-2H-1-benzopyran-6,7-diyl)disulphate, 4-METHYLESCULETOL DISULFATE DISODIUM SALT, 6,7-Dihydroxy-4-methylcoumarin bis(hydrogen sulfate) disodium salt
| Molecular Formula | C10H6Na2O10S2 |
|---|---|
| Molecular Weight | 395.92 g/mol |
| LogP | -6.21 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.91977 |
| Heavy Atoms | 24 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 1040-23-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | YCZIKIZDMUKKPA-UHFFFAOYSA-L |
Product Overview
Sulmarin disodium (CAS 1040-23-9), with molecular formula C10H6Na2O10S2 and molecular weight 395.92 g/mol. IUPAC: disodium;(4-methyl-2-oxo-6-sulfonatooxychromen-7-yl) sulfate.
Chemical Property Profile of Sulmarin disodium
Property Insights of Sulmarin disodium
The XLogP value of -6.21 indicates that Sulmarin disodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting Sulmarin disodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulmarin disodium has 0 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 Sulmarin disodium?
The CAS number of Sulmarin disodium is 1040-23-9.
What is the molecular formula of Sulmarin disodium?
The molecular formula of Sulmarin disodium is C10H6Na2O10S2.
What is the molecular weight of Sulmarin disodium?
The molecular weight of Sulmarin disodium is 395.92 g/mol.
Where can I buy Sulmarin disodium?
You can request a quote for Sulmarin disodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulmarin disodium?
Yes, KEHONG BIO provides custom synthesis services for Sulmarin disodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.