![ethanesulfonic acid-(3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}phenyl)(piperidin-1-yl)methanone(1:1) structure](/static/products/5087/50877-01-5.webp)
ethanesulfonic acid-(3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(1:1) (CAS 50877-01-5) is a chemical compound with molecular formula C26H35ClN6O5S and molecular weight 578.21 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]phenyl]-piperidin-1-ylmethanone;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}phenyl)(piperidin-1-yl)methanone(1:1), [3-[[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-(1-piperidyl)methanone, [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-morpholin-4-ylmethanone, [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone,ethanesulfonic acid, [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone; ethanesulfonic acid
| Molecular Formula | C26H35ClN6O5S |
|---|---|
| Molecular Weight | 578.21 g/mol |
| LogP | 3.6247 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.2078 |
| Heavy Atoms | 39 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 50877-01-5 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N4CCCCC4)Cl)N)N)C |
| InChIKey | FTCCDDNZFFHASS-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}phenyl)(piperidin-1-yl)methanone(1:1) (CAS 50877-01-5), with molecular formula C26H35ClN6O5S and molecular weight 578.21 g/mol. IUPAC: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone;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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(1:1)
The XLogP value of 3.6247 indicates that ethanesulfonic acid-(3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(1:1) is 50877-01-5.
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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(1:1) is C26H35ClN6O5S.
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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(1:1) is 578.21 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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(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}phenyl)(piperidin-1-yl)methanone(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.