3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid
TL;DR: 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid (CAS 59115-12-7) is a chemical compound with molecular formula C8H8N2O7S and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-4-hydroxy-5-nitrobenzenesulfonic acid
Also Known As: 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid, 3-acetamido-4-hydroxy-5-nitrobenzenesulfonic acid, 3-acetamido-4-hydroxy-5-nitro-benzenesulfonic Acid, 3-Acetamido-4-hydroxy-5-nitrobenzene-1-sulfonic acid, 5-(acetylamino)-4-hydroxy-3-nitrobenzenesulfonic acid
| Molecular Formula | C8H8N2O7S |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 0.5055 |
| Topological Polar Surface Area | 146.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.00522 |
| Heavy Atoms | 18 |
| Complexity | 622.5778 |
Chemical Identifiers
| CAS Number | 59115-12-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-])O |
Product Overview
3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid (CAS 59115-12-7), with molecular formula C8H8N2O7S and molecular weight 276.01 g/mol. IUPAC: 3-acetamido-4-hydroxy-5-nitrobenzenesulfonic acid.
Chemical Property Profile of 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid
Property Insights of 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid
The XLogP value of 0.5055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid. The TPSA of 146.84 Ų indicates high polarity, suggesting 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid has 3 hydrogen bond donor(s) and 6 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 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid?
The CAS number of 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid is 59115-12-7.
What is the molecular formula of 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid?
The molecular formula of 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid is C8H8N2O7S.
What is the molecular weight of 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid?
The molecular weight of 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid is 276.01 g/mol.
Where can I buy 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid?
You can request a quote for 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.