Bis(4-methylphenyl) benzene-1,3-disulfonate
TL;DR: Bis(4-methylphenyl) benzene-1,3-disulfonate (CAS 26841-13-4) is a chemical compound with molecular formula C20H18O6S2 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylphenyl) benzene-1,3-disulfonate
Also Known As: bis(4-methylphenyl) benzene-1,3-disulfonate, 1,3-BIS(4-METHYLPHENYL) BENZENE-1,3-DISULFONATE, 1,3-Benzenedisulfonicacid, 1,3-bis(4-methylphenyl) ester
| Molecular Formula | C20H18O6S2 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.05447 |
| Heavy Atoms | 28 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 26841-13-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC=C(C=C3)C |
| InChIKey | OZCZQBHRVXLKGD-UHFFFAOYSA-N |
Product Overview
Bis(4-methylphenyl) benzene-1,3-disulfonate (CAS 26841-13-4), with molecular formula C20H18O6S2 and molecular weight 418.05 g/mol. IUPAC: bis(4-methylphenyl) benzene-1,3-disulfonate.
Chemical Property Profile of Bis(4-methylphenyl) benzene-1,3-disulfonate
Property Insights of Bis(4-methylphenyl) benzene-1,3-disulfonate
The XLogP value of 4.8 indicates that Bis(4-methylphenyl) benzene-1,3-disulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-methylphenyl) benzene-1,3-disulfonate. Following Lipinski's Rule of Five, Bis(4-methylphenyl) benzene-1,3-disulfonate 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 Bis(4-methylphenyl) benzene-1,3-disulfonate?
The CAS number of Bis(4-methylphenyl) benzene-1,3-disulfonate is 26841-13-4.
What is the molecular formula of Bis(4-methylphenyl) benzene-1,3-disulfonate?
The molecular formula of Bis(4-methylphenyl) benzene-1,3-disulfonate is C20H18O6S2.
What is the molecular weight of Bis(4-methylphenyl) benzene-1,3-disulfonate?
The molecular weight of Bis(4-methylphenyl) benzene-1,3-disulfonate is 418.05 g/mol.
Where can I buy Bis(4-methylphenyl) benzene-1,3-disulfonate?
You can request a quote for Bis(4-methylphenyl) benzene-1,3-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-methylphenyl) benzene-1,3-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-methylphenyl) benzene-1,3-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.