Chrysamminic acid
TL;DR: Chrysamminic acid (CAS 517-92-0) is a chemical compound with molecular formula C14H4N4O12 and molecular weight 419.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Chrysamminic acid
1,8-dihydroxy-2,4,5,7-tetranitroanthracene-9,10-dione
Also Known As: Chrysamminic acid, Chrysammic acid, 2,4,5,7-Tetranitrochrysazin, 2,5,7-Tetranitrochrysazin, CHRYSAMMINIC ACID [MI]
| Molecular Formula | C14H4N4O12 |
|---|---|
| Molecular Weight | 419.98 g/mol |
| LogP | 1.506 |
| Topological Polar Surface Area | 247.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.98257 |
| Heavy Atoms | 30 |
| Complexity | 1171.0444 |
Chemical Identifiers
| CAS Number | 517-92-0 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1[N+](=O)[O-])O)C(=O)C3=C(C2=O)C(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Chrysamminic acid (CAS 517-92-0), with molecular formula C14H4N4O12 and molecular weight 419.98 g/mol. IUPAC: 1,8-dihydroxy-2,4,5,7-tetranitroanthracene-9,10-dione.
Chemical Property Profile of Chrysamminic acid
Property Insights of Chrysamminic acid
The XLogP value of 1.506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chrysamminic acid. The TPSA of 247.16 Ų indicates high polarity, suggesting Chrysamminic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chrysamminic acid has 2 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 Chrysamminic acid?
The CAS number of Chrysamminic acid is 517-92-0.
What is the molecular formula of Chrysamminic acid?
The molecular formula of Chrysamminic acid is C14H4N4O12.
What is the molecular weight of Chrysamminic acid?
The molecular weight of Chrysamminic acid is 419.98 g/mol.
Where can I buy Chrysamminic acid?
You can request a quote for Chrysamminic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysamminic acid?
Yes, KEHONG BIO provides custom synthesis services for Chrysamminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.