5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine
TL;DR: 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine (CAS 23994-47-0) is a chemical compound with molecular formula C21H28ClN3OS and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-butoxyphenyl)methyl]-4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine
Also Known As: AJ-292/11893006, 5-(4-butoxybenzyl)-4-chloro-2-(methylthio)-6-(piperidin-1-yl)pyrimidine, 5-(4-butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine, 5-[(4-butoxyphenyl)methyl]-4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine, butyl 4-{[4-chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinyl]methyl}phenyl ether
| Molecular Formula | C21H28ClN3OS |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 5.6119 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.16415 |
| Heavy Atoms | 27 |
| Complexity | 732.9517 |
Chemical Identifiers
| CAS Number | 23994-47-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCCC3 |
Product Overview
5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine (CAS 23994-47-0), with molecular formula C21H28ClN3OS and molecular weight 405.16 g/mol. IUPAC: 5-[(4-butoxyphenyl)methyl]-4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine.
Chemical Property Profile of 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine
Property Insights of 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine
The XLogP value of 5.6119 indicates that 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.25 Ų, 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine?
The CAS number of 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine is 23994-47-0.
What is the molecular formula of 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine?
The molecular formula of 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine is C21H28ClN3OS.
What is the molecular weight of 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine?
The molecular weight of 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine is 405.16 g/mol.
Where can I buy 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine?
You can request a quote for 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Butoxybenzyl)-4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.