9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid
TL;DR: 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid (CAS 79817-72-4) is a chemical compound with molecular formula C14H6N2O14S2 and molecular weight 489.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid
Also Known As: EINECS 279-303-7, 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid, 1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid, 1,5-DIHYDROXY-4,8-DINITRO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,7-DISULFONIC ACID, 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-2,7-anthracenedisulfonic acid
| Molecular Formula | C14H6N2O14S2 |
|---|---|
| Molecular Weight | 489.93 g/mol |
| LogP | 0.183 |
| Topological Polar Surface Area | 269.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.92606 |
| Heavy Atoms | 32 |
| Complexity | 1521.3789 |
Chemical Identifiers
| CAS Number | 79817-72-4 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1S(=O)(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3[N+](=O)[O-])S(=O)(=O)O)O)[N+](=O)[O-] |
Product Overview
9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid (CAS 79817-72-4), with molecular formula C14H6N2O14S2 and molecular weight 489.93 g/mol. IUPAC: 1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid.
Chemical Property Profile of 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid
Property Insights of 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid
The XLogP value of 0.183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid. The TPSA of 269.62 Ų indicates high polarity, suggesting 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid?
The CAS number of 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid is 79817-72-4.
What is the molecular formula of 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid?
The molecular formula of 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid is C14H6N2O14S2.
What is the molecular weight of 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid?
The molecular weight of 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid is 489.93 g/mol.
Where can I buy 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid?
You can request a quote for 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic 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-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.