N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide (CAS 433974-74-4) is a chemical compound with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide
Also Known As: UPCMLD0ENAT5956110:001, N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide, AP-263/40917608, (2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)[(5-bromo-2,4-dimethylphenyl)sulfonyl] amine, N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,4-dimethylbenzene-1-sulfonamide
| Molecular Formula | C16H16BrNO4S |
|---|---|
| Molecular Weight | 397.00 g/mol |
| LogP | 3.27314 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.99835 |
| Heavy Atoms | 23 |
| Complexity | 864.6242 |
Chemical Identifiers
| CAS Number | 433974-74-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)Br)C |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide (CAS 433974-74-4), with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide
The XLogP value of 3.27314 indicates that N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide 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)-5-bromo-2,4-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide 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)-5-bromo-2,4-dimethylbenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide is 433974-74-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide is C16H16BrNO4S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide is 397.00 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide 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)-5-bromo-2,4-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.