![5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine structure](/static/products/835/835894-71-8.png)
5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine
TL;DR: 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine (CAS 835894-71-8) is a chemical compound with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Also Known As: 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine, D054-0035, (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone, [5-chloro-2-(methylsulfanyl)pyrimidin-4-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
| Molecular Formula | C17H19ClN4O2S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 2.8229 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.09174 |
| Heavy Atoms | 25 |
| Complexity | 766.0631 |
Chemical Identifiers
| CAS Number | 835894-71-8 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC |
Product Overview
5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine (CAS 835894-71-8), with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol. IUPAC: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine
Property Insights of 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine
The XLogP value of 2.8229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine. With a topological polar surface area (TPSA) of 58.56 Ų, 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine has 0 hydrogen bond donor(s) and 6 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 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine?
The CAS number of 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine is 835894-71-8.
What is the molecular formula of 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine?
The molecular formula of 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine is C17H19ClN4O2S.
What is the molecular weight of 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine?
The molecular weight of 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine is 378.09 g/mol.
Where can I buy 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine?
You can request a quote for 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.