Diphenylamine sulfate
TL;DR: Diphenylamine sulfate (CAS 587-84-8) is a chemical compound with molecular formula C12H13NO4S and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylaniline;sulfuric acid
Also Known As: DIPHENYLAMINE SULFATE, Diphenylaminsulfat, N-phenylaniline;sulfuric acid, DIPHENYLAMINESULFATE, N-phenylaniline; sulfuric acid
| Molecular Formula | C12H13NO4S |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.78 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.05652 |
| Heavy Atoms | 18 |
| Complexity | 197.0 |
| Melting Point | 125 °C |
| Solubility | PRACTICALLY INSOL IN WATER; SOL IN ALCOHOL, SULFURIC ACID |
Chemical Identifiers
| CAS Number | 587-84-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2.OS(=O)(=O)O |
| InChIKey | IPZMDJYHJNHGML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenylamine sulfate (CAS 587-84-8), with molecular formula C12H13NO4S and molecular weight 267.06 g/mol. IUPAC: N-phenylaniline;sulfuric acid.
Chemical Property Profile of Diphenylamine sulfate
Property Insights of Diphenylamine sulfate
The XLogP value of 2.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphenylamine sulfate. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenylamine sulfate. Following Lipinski's Rule of Five, Diphenylamine sulfate has 3 hydrogen bond donor(s) and 5 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 Diphenylamine sulfate?
The CAS number of Diphenylamine sulfate is 587-84-8.
What is the molecular formula of Diphenylamine sulfate?
The molecular formula of Diphenylamine sulfate is C12H13NO4S.
What is the molecular weight of Diphenylamine sulfate?
The molecular weight of Diphenylamine sulfate is 267.06 g/mol.
Where can I buy Diphenylamine sulfate?
You can request a quote for Diphenylamine sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenylamine sulfate?
Yes, KEHONG BIO provides custom synthesis services for Diphenylamine sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.