Leucanthone, p-aminobenzenesulfonate
TL;DR: Leucanthone, p-aminobenzenesulfonate (CAS 19882-03-2) is a chemical compound with molecular formula C26H31N3O4S2 and molecular weight 513.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminobenzenesulfonic acid;1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one
Also Known As: Thioxanthen-9-one, monosulfanilate, Leucanthone, p-aminobenzenesulfonate, Thioxanthen-9-one, sulfanilate (1:1), 9H-Thioxanthen-9-one, mono(4-aminobenzenesulfonate), 4-aminobenzenesulfonic acid,1-[2-(diethylamino)ethylamino]-4
| Molecular Formula | C26H31N3O4S2 |
|---|---|
| Molecular Weight | 513.18 g/mol |
| LogP | 4.99232 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.1756 |
| Heavy Atoms | 35 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 19882-03-2 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.C1=CC(=CC=C1N)S(=O)(=O)O |
| InChIKey | OTWYAXNLCLWOGD-UHFFFAOYSA-N |
Product Overview
Leucanthone, p-aminobenzenesulfonate (CAS 19882-03-2), with molecular formula C26H31N3O4S2 and molecular weight 513.18 g/mol. IUPAC: 4-aminobenzenesulfonic acid;1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one.
Chemical Property Profile of Leucanthone, p-aminobenzenesulfonate
Property Insights of Leucanthone, p-aminobenzenesulfonate
The XLogP value of 4.99232 indicates that Leucanthone, p-aminobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting Leucanthone, p-aminobenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leucanthone, p-aminobenzenesulfonate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Leucanthone, p-aminobenzenesulfonate?
The CAS number of Leucanthone, p-aminobenzenesulfonate is 19882-03-2.
What is the molecular formula of Leucanthone, p-aminobenzenesulfonate?
The molecular formula of Leucanthone, p-aminobenzenesulfonate is C26H31N3O4S2.
What is the molecular weight of Leucanthone, p-aminobenzenesulfonate?
The molecular weight of Leucanthone, p-aminobenzenesulfonate is 513.18 g/mol.
Where can I buy Leucanthone, p-aminobenzenesulfonate?
You can request a quote for Leucanthone, p-aminobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leucanthone, p-aminobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Leucanthone, p-aminobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.