Benzoic acid, 4-(methylsulfonyl)-2-nitro-
TL;DR: Benzoic acid, 4-(methylsulfonyl)-2-nitro- (CAS 12324-82-2) is a chemical compound with molecular formula C8H7NO6S and molecular weight 245.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2-nitrobenzoic acid
Also Known As: 4-(methylsulfonyl)-2-nitrobenzoic acid, 2-nitro-4-methylsulfonylbenzoic acid, 4-methylsulfonyl-2-nitrobenzoic acid, mesotrione TP1, Mesotrione metabolite
| Molecular Formula | C8H7NO6S |
|---|---|
| Molecular Weight | 245.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.9994 |
| Heavy Atoms | 16 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 12324-82-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | QNOUABMNRMROSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(methylsulfonyl)-2-nitro- (CAS 12324-82-2), with molecular formula C8H7NO6S and molecular weight 245.00 g/mol. IUPAC: 4-methylsulfonyl-2-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 4-(methylsulfonyl)-2-nitro-
Property Insights of Benzoic acid, 4-(methylsulfonyl)-2-nitro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(methylsulfonyl)-2-nitro-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(methylsulfonyl)-2-nitro-. Following Lipinski's Rule of Five, Benzoic acid, 4-(methylsulfonyl)-2-nitro- 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 Benzoic acid, 4-(methylsulfonyl)-2-nitro-?
The CAS number of Benzoic acid, 4-(methylsulfonyl)-2-nitro- is 12324-82-2.
What is the molecular formula of Benzoic acid, 4-(methylsulfonyl)-2-nitro-?
The molecular formula of Benzoic acid, 4-(methylsulfonyl)-2-nitro- is C8H7NO6S.
What is the molecular weight of Benzoic acid, 4-(methylsulfonyl)-2-nitro-?
The molecular weight of Benzoic acid, 4-(methylsulfonyl)-2-nitro- is 245.00 g/mol.
Where can I buy Benzoic acid, 4-(methylsulfonyl)-2-nitro-?
You can request a quote for Benzoic acid, 4-(methylsulfonyl)-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(methylsulfonyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(methylsulfonyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.