![4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide structure](/static/products/4433/443321-98-0.webp)
4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide
TL;DR: 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide (CAS 443321-98-0) is a chemical compound with molecular formula C23H26BrN5O4S and molecular weight 547.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)sulfonyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4,6-dimethylpyrimidin-2-yl)guanidine
Also Known As: 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide, (E)-N''-(4-BROMOBENZENESULFONYL)-N'-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-N-(4,6-DIMETHYLPYRIMIDIN-2-YL)GUANIDINE, (Z)-4-bromo-N-(((3,4-dimethoxyphenethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)benzenesulfonamide, 1-(4-bromophenyl)sulfonyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4,6-dimethylpyrimidin-2-yl)guanidine, 1-[((1E)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4,6-dimethylpyrimidin-2-y l)amino]-1-azavinyl)sulfonyl]-4-bromobenzene
| Molecular Formula | C23H26BrN5O4S |
|---|---|
| Molecular Weight | 547.09 g/mol |
| LogP | 3.86224 |
| Topological Polar Surface Area | 114.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.08887 |
| Heavy Atoms | 34 |
| Complexity | 1260.7681 |
Chemical Identifiers
| CAS Number | 443321-98-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CC(=C(C=C2)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)Br)C |
Product Overview
4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide (CAS 443321-98-0), with molecular formula C23H26BrN5O4S and molecular weight 547.09 g/mol. IUPAC: 1-(4-bromophenyl)sulfonyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4,6-dimethylpyrimidin-2-yl)guanidine.
Chemical Property Profile of 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide
Property Insights of 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide
The XLogP value of 3.86224 indicates that 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide. Following Lipinski's Rule of Five, 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide?
The CAS number of 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide is 443321-98-0.
What is the molecular formula of 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide?
The molecular formula of 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide is C23H26BrN5O4S.
What is the molecular weight of 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide?
The molecular weight of 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide is 547.09 g/mol.
Where can I buy 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide?
You can request a quote for 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.