![ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) structure](/static/products/2531/25313-12-6.webp)
ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1)
TL;DR: ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) (CAS 25313-12-6) is a chemical compound with molecular formula C21H28ClFN6O8S3 and molecular weight 642.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylsulfamoyl]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1), 3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid, 3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylsulfamoyl]benzenesulfonyl fluoride;ethanesulfonic acid, Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]ethyl]sulfamoyl]benzenesulfonyl fluoride (1:1) (8CI) (MF2), Ethanesulfonic acid--3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethyl}sulfamoyl)benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C21H28ClFN6O8S3 |
|---|---|
| Molecular Weight | 642.08 g/mol |
| LogP | 1.4351 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 642.0803 |
| Heavy Atoms | 40 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 25313-12-6 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCNS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C |
| InChIKey | XXIPZEMVKOYQJE-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) (CAS 25313-12-6), with molecular formula C21H28ClFN6O8S3 and molecular weight 642.08 g/mol. IUPAC: 3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylsulfamoyl]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1)
Property Insights of ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1)
The XLogP value of 1.4351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1). The TPSA of 249.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) has 4 hydrogen bond donor(s) and 11 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-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1)?
The CAS number of ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) is 25313-12-6.
What is the molecular formula of ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1)?
The molecular formula of ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) is C21H28ClFN6O8S3.
What is the molecular weight of ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1)?
The molecular weight of ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) is 642.08 g/mol.
Where can I buy ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1)?
You can request a quote for ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)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-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1)?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonic acid- 3-({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}sulfamoyl)benzenesulfonyl fluoride(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.