![5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid structure](/static/products/866/866156-08-3.png)
5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid
TL;DR: 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid (CAS 866156-08-3) is a chemical compound with molecular formula C17H17NO7S and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-2-ethoxybenzoic acid
Also Known As: 5-{[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid, 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-2-ethoxybenzoic acid, 5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-ethoxybenzoic acid, 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-2-ethoxy-benzoic acid, 5-(benzo[1,3]dioxol-5-ylmethylsulfamoyl)-2-ethoxy-benzoic Acid
| Molecular Formula | C17H17NO7S |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 1.9907 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.07257 |
| Heavy Atoms | 26 |
| Complexity | 940.12274 |
Chemical Identifiers
| CAS Number | 866156-08-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O |
Product Overview
5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid (CAS 866156-08-3), with molecular formula C17H17NO7S and molecular weight 379.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-2-ethoxybenzoic acid.
Chemical Property Profile of 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid
Property Insights of 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid
The XLogP value of 1.9907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid. Following Lipinski's Rule of Five, 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid has 2 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-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid?
The CAS number of 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid is 866156-08-3.
What is the molecular formula of 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid?
The molecular formula of 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid is C17H17NO7S.
What is the molecular weight of 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid?
The molecular weight of 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid is 379.07 g/mol.
Where can I buy 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid?
You can request a quote for 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(1,3-Benzodioxol-5-ylmethyl)amino]sulfonyl}-2-ethoxybenzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.