4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine
TL;DR: 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine (CAS 339017-66-2) is a chemical compound with molecular formula C22H24ClN5OS and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
Also Known As: J1.738.862B, 7M-809, 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine, 4-[(4-chlorophenyl)sulfanyl]-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine, 4-(4-chlorophenyl)sulfanyl-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
| Molecular Formula | C22H24ClN5OS |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 4.5887 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.139 |
| Heavy Atoms | 30 |
| Complexity | 993.073 |
Chemical Identifiers
| CAS Number | 339017-66-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)N)SC4=CC=C(C=C4)Cl |
Product Overview
4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine (CAS 339017-66-2), with molecular formula C22H24ClN5OS and molecular weight 441.14 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine.
Chemical Property Profile of 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine
Property Insights of 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine
The XLogP value of 4.5887 indicates that 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine. Following Lipinski's Rule of Five, 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine has 1 hydrogen bond donor(s) and 7 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 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine?
The CAS number of 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine is 339017-66-2.
What is the molecular formula of 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine?
The molecular formula of 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine is C22H24ClN5OS.
What is the molecular weight of 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine?
The molecular weight of 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine is 441.14 g/mol.
Where can I buy 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine?
You can request a quote for 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chlorophenyl)sulfanyl)-6-(4-(2-ethoxyphenyl)piperazino)-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.