![ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) structure](/static/products/5085/50852-77-2.webp)
ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1)
TL;DR: ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) (CAS 50852-77-2) is a chemical compound with molecular formula C17H27ClN6O5S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-dimethylacetamide;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1), 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-dimethyl-acetamide, 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-dimethylacetamide; ethanesulfonic acid, 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-dimethylacetamide;ethanesulfonic acid, Ethanesulfonic acid--2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]-N,N-dimethylacetamide (1/1)
| Molecular Formula | C17H27ClN6O5S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 0.8866 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1452 |
| Heavy Atoms | 30 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 50852-77-2 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)N(C)C)Cl)N)N)C |
| InChIKey | UBVRWMBWDONRAD-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) (CAS 50852-77-2), with molecular formula C17H27ClN6O5S and molecular weight 462.15 g/mol. IUPAC: 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-dimethylacetamide;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1)
Property Insights of ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1)
The XLogP value of 0.8866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1). The TPSA of 172.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) has 3 hydrogen bond donor(s) and 6 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 ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1)?
The CAS number of ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) is 50852-77-2.
What is the molecular formula of ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1)?
The molecular formula of ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) is C17H27ClN6O5S.
What is the molecular weight of ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1)?
The molecular weight of ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) is 462.15 g/mol.
Where can I buy ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1)?
You can request a quote for ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(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- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1)?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-n,n-dimethylacetamide(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.