Disodium;4-methylbenzenesulfonic acid;phenol;sulfate
TL;DR: Disodium;4-methylbenzenesulfonic acid;phenol;sulfate (CAS 68411-28-9) is a chemical compound with molecular formula C13H14Na2O8S2 and molecular weight 407.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-methylbenzenesulfonic acid;phenol;sulfate
Also Known As: EINECS 270-114-5, Benzenesulfonic acid, 4-methyl-, reaction products with phenol and sulfuric acid, sodium salts, disodium; 4-methylbenzenesulfonic acid; phenol; sulfate, Sodium salt of diphenol sulfone, sulfonated diphenol sulfone, and sulfonated methylated diphenol sulfone, Benzenesulfonic acid, 4-methyl-, reaction products with phenol andsulfuric acid, sodium salts
| Molecular Formula | C13H14Na2O8S2 |
|---|---|
| Molecular Weight | 407.99 g/mol |
| LogP | -4.69608 |
| Topological Polar Surface Area | 154.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.99255 |
| Heavy Atoms | 25 |
| Complexity | 783.68243 |
Chemical Identifiers
| CAS Number | 68411-28-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)O.[O-]S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
Disodium;4-methylbenzenesulfonic acid;phenol;sulfate (CAS 68411-28-9), with molecular formula C13H14Na2O8S2 and molecular weight 407.99 g/mol. IUPAC: disodium;4-methylbenzenesulfonic acid;phenol;sulfate.
Chemical Property Profile of Disodium;4-methylbenzenesulfonic acid;phenol;sulfate
Property Insights of Disodium;4-methylbenzenesulfonic acid;phenol;sulfate
The XLogP value of -4.69608 indicates that Disodium;4-methylbenzenesulfonic acid;phenol;sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.86 Ų indicates high polarity, suggesting Disodium;4-methylbenzenesulfonic acid;phenol;sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disodium;4-methylbenzenesulfonic acid;phenol;sulfate has 2 hydrogen bond donor(s) and 7 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 Disodium;4-methylbenzenesulfonic acid;phenol;sulfate?
The CAS number of Disodium;4-methylbenzenesulfonic acid;phenol;sulfate is 68411-28-9.
What is the molecular formula of Disodium;4-methylbenzenesulfonic acid;phenol;sulfate?
The molecular formula of Disodium;4-methylbenzenesulfonic acid;phenol;sulfate is C13H14Na2O8S2.
What is the molecular weight of Disodium;4-methylbenzenesulfonic acid;phenol;sulfate?
The molecular weight of Disodium;4-methylbenzenesulfonic acid;phenol;sulfate is 407.99 g/mol.
Where can I buy Disodium;4-methylbenzenesulfonic acid;phenol;sulfate?
You can request a quote for Disodium;4-methylbenzenesulfonic acid;phenol;sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium;4-methylbenzenesulfonic acid;phenol;sulfate?
Yes, KEHONG BIO provides custom synthesis services for Disodium;4-methylbenzenesulfonic acid;phenol;sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.