N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide (CAS 728024-08-6) is a chemical compound with molecular formula C16H16BrNO5S and molecular weight 412.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide, AP-263/43028224, A3848/0163454, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-ethoxybenzene-1-sulfonamide
| Molecular Formula | C16H16BrNO5S |
|---|---|
| Molecular Weight | 412.99 g/mol |
| LogP | 3.055 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.99326 |
| Heavy Atoms | 24 |
| Complexity | 853.54144 |
Chemical Identifiers
| CAS Number | 728024-08-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)Br |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide (CAS 728024-08-6), with molecular formula C16H16BrNO5S and molecular weight 412.99 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide
The XLogP value of 3.055 indicates that N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide 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-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide is 728024-08-6.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide is C16H16BrNO5S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide is 412.99 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide 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)-4-bromo-3-ethoxybenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-ethoxybenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.