![ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) structure](/static/products/508/5087-70-7.png)
ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1)
TL;DR: ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) (CAS 5087-70-7) is a chemical compound with molecular formula C20H26ClN5O4S and molecular weight 467.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1), 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazi, 1-(3-chloro-4-phenylmethoxy-phenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-morpholin-4-ylmethanone, 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine,ethanesulfonic acid
| Molecular Formula | C20H26ClN5O4S |
|---|---|
| Molecular Weight | 467.14 g/mol |
| LogP | 2.9986 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.1394 |
| Heavy Atoms | 31 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 5087-70-7 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)N)N)C |
| InChIKey | CGFQDDJPHXAGNZ-UHFFFAOYSA-N |
Product Overview
ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) (CAS 5087-70-7), with molecular formula C20H26ClN5O4S and molecular weight 467.14 g/mol. IUPAC: 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid.
Chemical Property Profile of ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1)
Property Insights of ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1)
The XLogP value of 2.9986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1). The TPSA of 152.0 Ų indicates high polarity, suggesting ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1)?
The CAS number of ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) is 5087-70-7.
What is the molecular formula of ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1)?
The molecular formula of ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) is C20H26ClN5O4S.
What is the molecular weight of ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1)?
The molecular weight of ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) is 467.14 g/mol.
Where can I buy ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1)?
You can request a quote for ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(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-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1)?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonic acid- 1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.