4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid
TL;DR: 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid (CAS 321979-22-0) is a chemical compound with molecular formula C15H13NO6S and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoic acid
Also Known As: 4-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoic acid, 4-(N-(benzo[d][1,3]dioxol-5-ylmethyl)sulfamoyl)benzoic acid, 4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}benzoic acid, 4-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]benzoic acid, 4-(benzo[1,3]dioxol-5-ylmethylsulfamoyl)benzoic Acid
| Molecular Formula | C15H13NO6S |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 1.592 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.04636 |
| Heavy Atoms | 23 |
| Complexity | 844.7709 |
Chemical Identifiers
| CAS Number | 321979-22-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid (CAS 321979-22-0), with molecular formula C15H13NO6S and molecular weight 335.05 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoic acid.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid
Property Insights of 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid
The XLogP value of 1.592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid has 2 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid?
The CAS number of 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid is 321979-22-0.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid?
The molecular formula of 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid is C15H13NO6S.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid?
The molecular weight of 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid is 335.05 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid?
You can request a quote for 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)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-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylmethylsulfamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.