![Bis[3-nitro-4-aminophenyl]sulfone structure](/static/products/213/21373-31-9.png)
Bis[3-nitro-4-aminophenyl]sulfone
TL;DR: Bis[3-nitro-4-aminophenyl]sulfone (CAS 21373-31-9) is a chemical compound with molecular formula C12H10N4O6S and molecular weight 338.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-amino-3-nitrophenyl)sulfonyl-2-nitroaniline
Also Known As: Bis[3-nitro-4-aminophenyl]sulfone, Benzenamine,4,4'-sulfonylbis[2-nitro-, 4,4'-Sulfonylbis(2-nitroaniline), Bis(3-nitro-4-aminophenyl)sulfone, 4,4'-diamino-3,3'-dinitrodiphenyl sulfone
| Molecular Formula | C12H10N4O6S |
|---|---|
| Molecular Weight | 338.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0321 |
| Heavy Atoms | 23 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 21373-31-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | XJRXNRFOESSSRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis[3-nitro-4-aminophenyl]sulfone (CAS 21373-31-9), with molecular formula C12H10N4O6S and molecular weight 338.03 g/mol. IUPAC: 4-(4-amino-3-nitrophenyl)sulfonyl-2-nitroaniline.
Chemical Property Profile of Bis[3-nitro-4-aminophenyl]sulfone
Property Insights of Bis[3-nitro-4-aminophenyl]sulfone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis[3-nitro-4-aminophenyl]sulfone. The TPSA of 186.0 Ų indicates high polarity, suggesting Bis[3-nitro-4-aminophenyl]sulfone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis[3-nitro-4-aminophenyl]sulfone has 2 hydrogen bond donor(s) and 8 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 Bis[3-nitro-4-aminophenyl]sulfone?
The CAS number of Bis[3-nitro-4-aminophenyl]sulfone is 21373-31-9.
What is the molecular formula of Bis[3-nitro-4-aminophenyl]sulfone?
The molecular formula of Bis[3-nitro-4-aminophenyl]sulfone is C12H10N4O6S.
What is the molecular weight of Bis[3-nitro-4-aminophenyl]sulfone?
The molecular weight of Bis[3-nitro-4-aminophenyl]sulfone is 338.03 g/mol.
Where can I buy Bis[3-nitro-4-aminophenyl]sulfone?
You can request a quote for Bis[3-nitro-4-aminophenyl]sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[3-nitro-4-aminophenyl]sulfone?
Yes, KEHONG BIO provides custom synthesis services for Bis[3-nitro-4-aminophenyl]sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.