2-Aminophenyl 4-nitrobenzenesulfonate
TL;DR: 2-Aminophenyl 4-nitrobenzenesulfonate (CAS 18631-75-9) is a chemical compound with molecular formula C12H10N2O5S and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-aminophenyl) 4-nitrobenzenesulfonate
Also Known As: 2-Aminophenyl 4-nitrobenzenesulfonate, 2-(p-Nitro-benzolsulfonyloxy)-anilin, (2-aminophenyl) 4-nitrobenzenesulfonate, 2-Aminophenyl 4-nitrobenzenesulfonate #, Benzenesulfonic acid, 4-nitro-, 2-aminophenyl ester
| Molecular Formula | C12H10N2O5S |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.03104 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 18631-75-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZUOVOBVJQMCJQC-UHFFFAOYSA-N |
Product Overview
2-Aminophenyl 4-nitrobenzenesulfonate (CAS 18631-75-9), with molecular formula C12H10N2O5S and molecular weight 294.03 g/mol. IUPAC: (2-aminophenyl) 4-nitrobenzenesulfonate.
Chemical Property Profile of 2-Aminophenyl 4-nitrobenzenesulfonate
Property Insights of 2-Aminophenyl 4-nitrobenzenesulfonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminophenyl 4-nitrobenzenesulfonate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminophenyl 4-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-Aminophenyl 4-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 2-Aminophenyl 4-nitrobenzenesulfonate?
The CAS number of 2-Aminophenyl 4-nitrobenzenesulfonate is 18631-75-9.
What is the molecular formula of 2-Aminophenyl 4-nitrobenzenesulfonate?
The molecular formula of 2-Aminophenyl 4-nitrobenzenesulfonate is C12H10N2O5S.
What is the molecular weight of 2-Aminophenyl 4-nitrobenzenesulfonate?
The molecular weight of 2-Aminophenyl 4-nitrobenzenesulfonate is 294.03 g/mol.
Where can I buy 2-Aminophenyl 4-nitrobenzenesulfonate?
You can request a quote for 2-Aminophenyl 4-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminophenyl 4-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminophenyl 4-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.