![ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) structure](/static/products/3100/31000-03-0.webp)
ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)
TL;DR: ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) (CAS 31000-03-0) is a chemical compound with molecular formula C21H27ClFN5O6S2 and molecular weight 563.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1), 4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-y, 4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride; ethanesulfonic acid, Ethanesulfonic acid--4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethyl}benzene-1-sulfonyl fluoride (1/1), Ethanesulfonic acid-4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)
| Molecular Formula | C21H27ClFN5O6S2 |
|---|---|
| Molecular Weight | 563.11 g/mol |
| LogP | 3.2178 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 563.10754 |
| Heavy Atoms | 36 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 31000-03-0 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC(C1=CC=C(C=C1)S(=O)(=O)F)OC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl |
| InChIKey | KPTRNXDCYKJZNR-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) (CAS 31000-03-0), with molecular formula C21H27ClFN5O6S2 and molecular weight 563.11 g/mol. IUPAC: 4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)
Property Insights of ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)
The XLogP value of 3.2178 indicates that ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) has 3 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- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)?
The CAS number of ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) is 31000-03-0.
What is the molecular formula of ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)?
The molecular formula of ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) is C21H27ClFN5O6S2.
What is the molecular weight of ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)?
The molecular weight of ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) is 563.11 g/mol.
Where can I buy ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)?
You can request a quote for ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}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- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1)?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.