5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid
TL;DR: 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid (CAS 85896-01-1) is a chemical compound with molecular formula C18H14N2O11S2 and molecular weight 498.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonic acid
Also Known As: EINECS 288-777-4, 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid, 5-hydroxy-4-[[ acetyl]amino]naphthalene-1,7-disulphonicacid, 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonic acid, 5-HYDROXY-4-[[(3-NITROPHENOXY)ACETYL]AMINO]NAPHTHALENE-1,7-DISULFONIC ACID
| Molecular Formula | C18H14N2O11S2 |
|---|---|
| Molecular Weight | 498.00 g/mol |
| LogP | 1.9645 |
| Topological Polar Surface Area | 210.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.0039 |
| Heavy Atoms | 33 |
| Complexity | 1499.3049 |
Chemical Identifiers
| CAS Number | 85896-01-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O)[N+](=O)[O-] |
Product Overview
5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid (CAS 85896-01-1), with molecular formula C18H14N2O11S2 and molecular weight 498.00 g/mol. IUPAC: 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonic acid.
Chemical Property Profile of 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid
Property Insights of 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid
The XLogP value of 1.9645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid. The TPSA of 210.44 Ų indicates high polarity, suggesting 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid has 4 hydrogen bond donor(s) and 9 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 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid?
The CAS number of 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid is 85896-01-1.
What is the molecular formula of 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid?
The molecular formula of 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid is C18H14N2O11S2.
What is the molecular weight of 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid?
The molecular weight of 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid is 498.00 g/mol.
Where can I buy 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid?
You can request a quote for 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.