![4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid structure](/static/products/7492/749216-12-4.webp)
4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid
TL;DR: 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid (CAS 749216-12-4) is a chemical compound with molecular formula C14H11NO7S and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoic acid
Also Known As: 4-[(2-methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid, 4-(2-Methyl-5-nitro-benzenesulfonyloxy)-benzoic acid, 4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoic acid, 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoic Acid, 4-[(2-methyl-5-nitrobenzenesulfonyl)oxy]benzoicacid
| Molecular Formula | C14H11NO7S |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 2.36912 |
| Topological Polar Surface Area | 123.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02563 |
| Heavy Atoms | 23 |
| Complexity | 872.49884 |
Chemical Identifiers
| CAS Number | 749216-12-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid (CAS 749216-12-4), with molecular formula C14H11NO7S and molecular weight 337.03 g/mol. IUPAC: 4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoic acid.
Chemical Property Profile of 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid
Property Insights of 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid
The XLogP value of 2.36912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid. The TPSA of 123.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid 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-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid?
The CAS number of 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid is 749216-12-4.
What is the molecular formula of 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid?
The molecular formula of 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid is C14H11NO7S.
What is the molecular weight of 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid?
The molecular weight of 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid is 337.03 g/mol.
Where can I buy 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid?
You can request a quote for 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.