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5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid
TL;DR: 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid (CAS 170287-55-5) is a chemical compound with molecular formula C16H17NO5S and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid
Also Known As: 5-[benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid, 5-(N-benzyl-N-methylsulfamoyl)-2-methoxybenzoic acid, AP-906/42698383, 5-(benzyl-methyl-sulfamoyl)-2-methoxy-benzoic Acid, 5-{[benzyl(methyl)amino]sulfonyl}-2-methoxybenzoic acid
| Molecular Formula | C16H17NO5S |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.08273 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 170287-55-5 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)O |
| InChIKey | GAPWNODCCFXZOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid (CAS 170287-55-5), with molecular formula C16H17NO5S and molecular weight 335.08 g/mol. IUPAC: 5-[benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid.
Chemical Property Profile of 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid
Property Insights of 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid. Following Lipinski's Rule of Five, 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic 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 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The CAS number of 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid is 170287-55-5.
What is the molecular formula of 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The molecular formula of 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid is C16H17NO5S.
What is the molecular weight of 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The molecular weight of 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid is 335.08 g/mol.
Where can I buy 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
You can request a quote for 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[Benzyl(methyl)sulfamoyl]-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.