((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid
TL;DR: ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid (CAS 94087-00-0) 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.
2-[(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)amino]benzenesulfonic acid
Also Known As: EINECS 301-891-1, ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid, [(9,10-dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino]benzenesulphonic acid, 2-[(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)amino]benzenesulfonic acid, 2-[(1,4-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)AMINO]BENZENE-1-SULFONIC ACID
| 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 | 1312.4001 |
Chemical Identifiers
| CAS Number | 94087-00-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NC4=CC=CC=C4S(=O)(=O)O)O |
Product Overview
((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid (CAS 94087-00-0), with molecular formula C20H13NO7S and molecular weight 411.04 g/mol. IUPAC: 2-[(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)amino]benzenesulfonic acid.
Chemical Property Profile of ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid
Property Insights of ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid
The XLogP value of 2.8635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic 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 ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid?
The CAS number of ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid is 94087-00-0.
What is the molecular formula of ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid?
The molecular formula of ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid is C20H13NO7S.
What is the molecular weight of ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid?
The molecular weight of ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid is 411.04 g/mol.
Where can I buy ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid?
You can request a quote for ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.