4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid
TL;DR: 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid (CAS 73698-38-1) is a chemical compound with molecular formula C20H13NO7S and molecular weight 411.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dihydroxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonic acid
Also Known As: CERN moridlova 13, CERN moridlova 13 [Czech], Cern Mo rava alizarinova B, Cern Mo rava alizarinova B [Czech], C.I. 63615
| Molecular Formula | C20H13NO7S |
|---|---|
| Molecular Weight | 411.04 g/mol |
| LogP | 2.8635 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.04126 |
| Heavy Atoms | 29 |
| Complexity | 1295.1501 |
Chemical Identifiers
| CAS Number | 73698-38-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)NC4=CC=C(C=C4)S(=O)(=O)O |
Product Overview
4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid (CAS 73698-38-1), with molecular formula C20H13NO7S and molecular weight 411.04 g/mol. IUPAC: 4-[(2,4-dihydroxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonic acid.
Chemical Property Profile of 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid
Property Insights of 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid
The XLogP value of 2.8635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid has 4 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-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid?
The CAS number of 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid is 73698-38-1.
What is the molecular formula of 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid?
The molecular formula of 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid is C20H13NO7S.
What is the molecular weight of 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid?
The molecular weight of 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid is 411.04 g/mol.
Where can I buy 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid?
You can request a quote for 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dihydroxy-1-anthraquinonylamino)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.