![ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n,n-diethylbenzamide(1:1) structure](/static/products/4141/41416-54-0.webp)
ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n,n-diethylbenzamide(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,n-diethylbenzamide(1:1) (CAS 41416-54-0) is a chemical compound with molecular formula C25H35ClN6O5S and molecular weight 566.21 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,N-diethylbenzamide;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,n-diethylbenzamide(1:1), 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-diethyl-benzamide, 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-diethylbenzamide; ethanesulfonic acid, 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-diethylbenzamide;ethanesulfonic acid, Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-diethyl-benzamide (1:1) (9CI) (MF2)
| Molecular Formula | C25H35ClN6O5S |
|---|---|
| Molecular Weight | 566.21 g/mol |
| LogP | 3.4806 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 566.2078 |
| Heavy Atoms | 38 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 41416-54-0 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=CC(=C1)COC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl.CCS(=O)(=O)O |
| InChIKey | SMPIQBVTWKVZKK-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,n-diethylbenzamide(1:1) (CAS 41416-54-0), with molecular formula C25H35ClN6O5S and molecular weight 566.21 g/mol. IUPAC: 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-diethylbenzamide;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,n-diethylbenzamide(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,n-diethylbenzamide(1:1)
The XLogP value of 3.4806 indicates that ethanesulfonic acid- 3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}-n,n-diethylbenzamide(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,n-diethylbenzamide(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,n-diethylbenzamide(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,n-diethylbenzamide(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,n-diethylbenzamide(1:1) is 41416-54-0.
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,n-diethylbenzamide(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,n-diethylbenzamide(1:1) is C25H35ClN6O5S.
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,n-diethylbenzamide(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,n-diethylbenzamide(1:1) is 566.21 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,n-diethylbenzamide(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,n-diethylbenzamide(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,n-diethylbenzamide(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,n-diethylbenzamide(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.