![ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) structure](/static/products/5087/50874-38-9.webp)
ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1)
TL;DR: ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) (CAS 50874-38-9) is a chemical compound with molecular formula C20H34N6O4S and molecular weight 454.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethylpropanamide;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1), 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethyl-propanamide, 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethylpropanamide; ethanesulfonic acid, 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethylpropanamide;ethanesulfonic acid, Ethanesulfonic acid--3-[4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]-N,N-diethylpropanamide (1/1)
| Molecular Formula | C20H34N6O4S |
|---|---|
| Molecular Weight | 454.24 g/mol |
| LogP | 1.5672 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.23624 |
| Heavy Atoms | 31 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 50874-38-9 |
|---|---|
| SMILES | CCN(CC)C(=O)CCC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N.CCS(=O)(=O)O |
| InChIKey | VDIKGGCQWDRGAV-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) (CAS 50874-38-9), with molecular formula C20H34N6O4S and molecular weight 454.24 g/mol. IUPAC: 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethylpropanamide;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1)
Property Insights of ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1)
The XLogP value of 1.5672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1). The TPSA of 163.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) has 3 hydrogen bond donor(s) and 5 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- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1)?
The CAS number of ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) is 50874-38-9.
What is the molecular formula of ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1)?
The molecular formula of ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) is C20H34N6O4S.
What is the molecular weight of ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1)?
The molecular weight of ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) is 454.24 g/mol.
Where can I buy ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1)?
You can request a quote for ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(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-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1)?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonic acid- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n,n-diethylpropanamide(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.