![ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) structure](/static/products/5087/50876-33-0.webp)
ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1)
TL;DR: ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) (CAS 50876-33-0) is a chemical compound with molecular formula C28H33ClN6O5S and molecular weight 600.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N-methyl-N-phenylbenzamide;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1), 3-[[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-n-methyl-n-phenyl-benzamide, 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N-methyl-N-phenylbenzamide; ethanesulfonic acid, 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N-methyl-N-phenylbenzamide;ethanesulfonic acid, Ethanesulfonic acid--3-{[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]methyl}-N-methyl-N-phenylbenzamide (1/1)
| Molecular Formula | C28H33ClN6O5S |
|---|---|
| Molecular Weight | 600.19 g/mol |
| LogP | 4.2752 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 600.19214 |
| Heavy Atoms | 41 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 50876-33-0 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N(C)C4=CC=CC=C4)Cl)N)N)C |
| InChIKey | KQNQOKKJMNMEIM-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) (CAS 50876-33-0), with molecular formula C28H33ClN6O5S and molecular weight 600.19 g/mol. IUPAC: 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N-methyl-N-phenylbenzamide;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1)
Property Insights of ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1)
The XLogP value of 4.2752 indicates that ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1)?
The CAS number of ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) is 50876-33-0.
What is the molecular formula of ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1)?
The molecular formula of ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) is C28H33ClN6O5S.
What is the molecular weight of ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1)?
The molecular weight of ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) is 600.19 g/mol.
Where can I buy ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1)?
You can request a quote for ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1)?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n-methyl-n-phenylbenzamide(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.