![ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) structure](/static/products/5107/5107-74-4.webp)
ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)
TL;DR: ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) (CAS 5107-74-4) is a chemical compound with molecular formula C22H31N7O5S and molecular weight 505.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1), 1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea,ethanesulfonic acid, 1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea; ethanesulfonic acid, 1-[[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea;ethanesulfonic acid, Ethanesulfonic acid--N-{[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}-N'-(3-methoxyphenyl)urea (1/1)
| Molecular Formula | C22H31N7O5S |
|---|---|
| Molecular Weight | 505.21 g/mol |
| LogP | 2.0965 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.21072 |
| Heavy Atoms | 35 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 5107-74-4 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CNC(=O)NC3=CC(=CC=C3)OC)N)N)C |
| InChIKey | NSABTDGDPAKAKS-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) (CAS 5107-74-4), with molecular formula C22H31N7O5S and molecular weight 505.21 g/mol. IUPAC: 1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)
Property Insights of ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)
The XLogP value of 2.0965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1). The TPSA of 193.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) has 5 hydrogen bond donor(s) and 6 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- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)?
The CAS number of ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) is 5107-74-4.
What is the molecular formula of ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)?
The molecular formula of ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) is C22H31N7O5S.
What is the molecular weight of ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)?
The molecular weight of ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) is 505.21 g/mol.
Where can I buy ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)?
You can request a quote for ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(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- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.