4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid
TL;DR: 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid (CAS 103439-97-0) is a chemical compound with molecular formula C15H13NO7S and molecular weight 351.04126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitrobenzoic acid
Also Known As: 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid, 4-{[(4-methoxyphenyl)sulfonyl]methyl}-3-nitrobenzoic acid, 4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitrobenzoic acid, Benzoic acid, 4-(((4-methoxyphenyl)sulfonyl)methyl)-3-nitro-, 4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitro-benzoic acid
Technical Specifications
| Molecular Formula | C15H13NO7S |
| Molecular Weight | 351.04126 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.04126 Da |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | PQJXNANDUHDKQO-UHFFFAOYSA-N |
Product Description
Applications: 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is a fine chemical identified by CAS number 103439-97-0 and the molecular formula C15H13NO7S and a molecular weight of 351.04 g/mol. Synonyms include 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid and 4-{[(4-methoxyphenyl)sulfonyl]methyl}-3-nitrobenzoic acid.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid
Property Insights of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
The CAS number of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is 103439-97-0.
What is the molecular formula of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
The molecular formula of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is C15H13NO7S.
What is the molecular weight of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
The molecular weight of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is 351.04126 g/mol.
What are the applications of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
You can request a quote for 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.