Diphenylphosphoric toluene-4-sulfonic anhydride
TL;DR: Diphenylphosphoric toluene-4-sulfonic anhydride (CAS 95667-04-2) is a chemical compound with molecular formula C19H17O6PS and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenoxyphosphoryl 4-methylbenzenesulfonate
Also Known As: Dpptsa, Diphenylphosphoric toluene-4-sulfonic anhydride, diphenoxyphosphoryl 4-methylbenzenesulfonate, Benzenesulfonic acid, 4-methyl-, (SP-5-21)-, [(4-Methylbenzene-1-sulfonyl)oxy](oxo)di(phenoxy)-lambda~5~-phosphane
| Molecular Formula | C19H17O6PS |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.04834 |
| Heavy Atoms | 27 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 95667-04-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| InChIKey | LCYHSTVGKVUEKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenylphosphoric toluene-4-sulfonic anhydride (CAS 95667-04-2), with molecular formula C19H17O6PS and molecular weight 404.05 g/mol. IUPAC: diphenoxyphosphoryl 4-methylbenzenesulfonate.
Chemical Property Profile of Diphenylphosphoric toluene-4-sulfonic anhydride
Property Insights of Diphenylphosphoric toluene-4-sulfonic anhydride
The XLogP value of 4.6 indicates that Diphenylphosphoric toluene-4-sulfonic anhydride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenylphosphoric toluene-4-sulfonic anhydride. Following Lipinski's Rule of Five, Diphenylphosphoric toluene-4-sulfonic anhydride 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 Diphenylphosphoric toluene-4-sulfonic anhydride?
The CAS number of Diphenylphosphoric toluene-4-sulfonic anhydride is 95667-04-2.
What is the molecular formula of Diphenylphosphoric toluene-4-sulfonic anhydride?
The molecular formula of Diphenylphosphoric toluene-4-sulfonic anhydride is C19H17O6PS.
What is the molecular weight of Diphenylphosphoric toluene-4-sulfonic anhydride?
The molecular weight of Diphenylphosphoric toluene-4-sulfonic anhydride is 404.05 g/mol.
Where can I buy Diphenylphosphoric toluene-4-sulfonic anhydride?
You can request a quote for Diphenylphosphoric toluene-4-sulfonic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenylphosphoric toluene-4-sulfonic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Diphenylphosphoric toluene-4-sulfonic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.