4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline
TL;DR: 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline (CAS 94552-14-4) is a chemical compound with molecular formula C20H24N2O5S and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline
Also Known As: Benzenesulfonic acid, 4-amino-, diazotized, coupled with diazotized xylidine and resorcinol, 4-aminobenzenesulfonic acid; benzene-1,3-diol; 2,4-dimethylaniline, Reaction product of diazotized sulfanilic acid, diazotized xylidine and resorcinol, Benzenesulfonic acid, 4-amino-, diazotized, coupled with diazotizedxylidine and resorcinol, Reaction product of diazotized sulfanilic acid, diazotized xylidineand resorcinol
| Molecular Formula | C20H24N2O5S |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 3.49894 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.1406 |
| Heavy Atoms | 28 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 94552-14-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N)C.C1=CC(=CC(=C1)O)O.C1=CC(=CC=C1N)S(=O)(=O)O |
| InChIKey | JXFGAMWIGFAHCL-UHFFFAOYSA-N |
Product Overview
4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline (CAS 94552-14-4), with molecular formula C20H24N2O5S and molecular weight 404.14 g/mol. IUPAC: 4-aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline.
Chemical Property Profile of 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline
Property Insights of 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline
The XLogP value of 3.49894 indicates that 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline has 5 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 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline?
The CAS number of 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline is 94552-14-4.
What is the molecular formula of 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline?
The molecular formula of 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline is C20H24N2O5S.
What is the molecular weight of 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline?
The molecular weight of 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline is 404.14 g/mol.
Where can I buy 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline?
You can request a quote for 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminobenzenesulfonic acid;benzene-1,3-diol;2,4-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.