N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide (CAS 873588-01-3) is a chemical compound with molecular formula C17H18BrNO4S and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide
Also Known As: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-2,4,6-trimethylbenzene-1-sulfonamide, N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide, (2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)[(3-bromo-2,4,6-trimethylphenyl)sulfon yl]amine
| Molecular Formula | C17H18BrNO4S |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 3.58156 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.01398 |
| Heavy Atoms | 24 |
| Complexity | 909.29193 |
Chemical Identifiers
| CAS Number | 873588-01-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C)Br)C |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide (CAS 873588-01-3), with molecular formula C17H18BrNO4S and molecular weight 411.01 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide
The XLogP value of 3.58156 indicates that N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide is 873588-01-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide is C17H18BrNO4S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide is 411.01 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2,4,6-trimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.