N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide
TL;DR: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide (CAS 460994-47-2) is a chemical compound with molecular formula C15H12BrNO5S and molecular weight 396.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide
Also Known As: N-(6-Acetylbenzo[d][1,3]dioxol-5-yl)-2-bromobenzenesulfonamide, BAS 04936069, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide, N-(6-Acetyl-benzo[1,3]dioxol-5-yl)-2-bromo-benzenesulfonamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-benzenesulfonamide
| Molecular Formula | C15H12BrNO5S |
|---|---|
| Molecular Weight | 396.96 g/mol |
| LogP | 3.1812 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.96198 |
| Heavy Atoms | 23 |
| Complexity | 894.7354 |
Chemical Identifiers
| CAS Number | 460994-47-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=CC=C3Br)OCO2 |
Product Overview
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide (CAS 460994-47-2), with molecular formula C15H12BrNO5S and molecular weight 396.96 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide.
Chemical Property Profile of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide
Property Insights of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide
The XLogP value of 3.1812 indicates that N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide. Following Lipinski's Rule of Five, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide has 1 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 N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide?
The CAS number of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide is 460994-47-2.
What is the molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide?
The molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide is C15H12BrNO5S.
What is the molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide?
The molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide is 396.96 g/mol.
Where can I buy N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide?
You can request a quote for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.