![ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1) structure](/static/products/1915/19159-35-4.webp)
ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1)
TL;DR: ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1) (CAS 19159-35-4) is a chemical compound with molecular formula C21H27FN6O6S2 and molecular weight 542.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1), 3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl, 3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl Fluoride, 3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid, Ethanesulfonic acid--3-{2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]acetamido}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C21H27FN6O6S2 |
|---|---|
| Molecular Weight | 542.14 g/mol |
| LogP | 1.6056 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.1417 |
| Heavy Atoms | 36 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 19159-35-4 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C |
| InChIKey | WMYXOSYXZYRMMA-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1) (CAS 19159-35-4), with molecular formula C21H27FN6O6S2 and molecular weight 542.14 g/mol. IUPAC: 3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1)
Property Insights of ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1)
The XLogP value of 1.6056 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]acetyl}amino)benzenesulfonyl fluoride(1:1). The TPSA of 214.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(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]acetyl}amino)benzenesulfonyl fluoride(1:1) has 4 hydrogen bond donor(s) and 8 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-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1)?
The CAS number of ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1) is 19159-35-4.
What is the molecular formula of ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1)?
The molecular formula of ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1) is C21H27FN6O6S2.
What is the molecular weight of ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1)?
The molecular weight of ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1) is 542.14 g/mol.
Where can I buy ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(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]acetyl}amino)benzenesulfonyl fluoride(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]acetyl}amino)benzenesulfonyl fluoride(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]acetyl}amino)benzenesulfonyl fluoride(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.