(4-Acetamidophenyl) 2-nitrobenzenesulfonate
TL;DR: (4-Acetamidophenyl) 2-nitrobenzenesulfonate (CAS 321679-58-7) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 2-nitrobenzenesulfonate
Also Known As: 4-acetamidophenyl 2-nitrobenzene-1-sulfonate, (4-acetamidophenyl) 2-nitrobenzenesulfonate, BAS 00259457, J1.442.394J, 2-Nitrobenzenesulfonic acid 4-(acetylamino)phenyl ester
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.3209 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 845.8262 |
Chemical Identifiers
| CAS Number | 321679-58-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
(4-Acetamidophenyl) 2-nitrobenzenesulfonate (CAS 321679-58-7), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: (4-acetamidophenyl) 2-nitrobenzenesulfonate.
Chemical Property Profile of (4-Acetamidophenyl) 2-nitrobenzenesulfonate
Property Insights of (4-Acetamidophenyl) 2-nitrobenzenesulfonate
The XLogP value of 2.3209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Acetamidophenyl) 2-nitrobenzenesulfonate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Acetamidophenyl) 2-nitrobenzenesulfonate. Following Lipinski's Rule of Five, (4-Acetamidophenyl) 2-nitrobenzenesulfonate has 1 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 (4-Acetamidophenyl) 2-nitrobenzenesulfonate?
The CAS number of (4-Acetamidophenyl) 2-nitrobenzenesulfonate is 321679-58-7.
What is the molecular formula of (4-Acetamidophenyl) 2-nitrobenzenesulfonate?
The molecular formula of (4-Acetamidophenyl) 2-nitrobenzenesulfonate is C14H12N2O6S.
What is the molecular weight of (4-Acetamidophenyl) 2-nitrobenzenesulfonate?
The molecular weight of (4-Acetamidophenyl) 2-nitrobenzenesulfonate is 336.04 g/mol.
Where can I buy (4-Acetamidophenyl) 2-nitrobenzenesulfonate?
You can request a quote for (4-Acetamidophenyl) 2-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Acetamidophenyl) 2-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetamidophenyl) 2-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.