![ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) structure](/static/products/2541/25413-03-0.webp)
ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1)
TL;DR: ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) (CAS 25413-03-0) is a chemical compound with molecular formula C24H33ClFN7O8S2 and molecular weight 665.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1), (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.1?,?.112,1?.01?,22.02?,3?.031,3?]hentetracontan-24-one, 3-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-4-methoxybenzenesulfonyl fluoride,ethanesulfonic acid, 3-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid, 3-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
| Molecular Formula | C24H33ClFN7O8S2 |
|---|---|
| Molecular Weight | 665.15 g/mol |
| LogP | 2.677 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 665.15045 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 25413-03-0 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=C(C=CC(=C3)S(=O)(=O)F)OC)Cl)N)N)C |
| InChIKey | IQEHYCIAZZOHSS-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) (CAS 25413-03-0), with molecular formula C24H33ClFN7O8S2 and molecular weight 665.15 g/mol. IUPAC: 3-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1)
Property Insights of ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1)
The XLogP value of 2.677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1). The TPSA of 245.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) has 5 hydrogen bond donor(s) and 10 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-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1)?
The CAS number of ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) is 25413-03-0.
What is the molecular formula of ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1)?
The molecular formula of ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) is C24H33ClFN7O8S2.
What is the molecular weight of ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1)?
The molecular weight of ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) is 665.15 g/mol.
Where can I buy ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1)?
You can request a quote for ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl 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-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1)?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonic acid- 3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]propyl}carbamoyl)amino]-4-methoxybenzenesulfonyl fluoride(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.