4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid
TL;DR: 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid (CAS 110046-45-2) is a chemical compound with molecular formula C15H13NO6S and molecular weight 335.04636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-methoxyphenyl)sulfinylmethyl]-3-nitrobenzoic acid
Also Known As: 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid, 4-{[(4-methoxyphenyl)sulfinyl]methyl}-3-nitrobenzoic acid, 4-[(4-methoxyphenyl)sulfinylmethyl]-3-nitrobenzoic acid, Benzoic acid, 4-(((4-methoxyphenyl)sulfinyl)methyl)-3-nitro-, 4-[(4-methoxyphenyl)sulfinylmethyl]-3-nitro-benzoic acid
Technical Specifications
| Molecular Formula | C15H13NO6S |
| Molecular Weight | 335.04636 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.04636 Da |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
| SMILES | COC1=CC=C(C=C1)S(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | XNNUHFSFYGDWNF-UHFFFAOYSA-N |
Chemical Property Profile of 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid
Property Insights of 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(((4-Methoxyphenyl)sulfinyl)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)sulfinyl)methyl)-3-nitrobenzoic acid?
The CAS number of 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid is 110046-45-2.
What is the molecular formula of 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid?
The molecular formula of 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid is C15H13NO6S.
What is the molecular weight of 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid?
The molecular weight of 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid is 335.04636 g/mol.
Where can I buy 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid?
You can request a quote for 4-(((4-Methoxyphenyl)sulfinyl)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)sulfinyl)methyl)-3-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(((4-Methoxyphenyl)sulfinyl)methyl)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.