4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine
TL;DR: 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine (CAS 838265-44-4) is a chemical compound with molecular formula C18H20ClN3OS and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperidin-1-yl)-(5-chloro-2-methylsulfanylpyrimidin-4-yl)methanone
Also Known As: 4-(4-BENZYLPIPERIDINE-1-CARBONYL)-5-CHLORO-2-(METHYLSULFANYL)PYRIMIDINE, (4-benzylpiperidin-1-yl)-(5-chloro-2-methylsulfanylpyrimidin-4-yl)methanone, (4-Benzylpiperidin-1-yl)(5-chloro-2-(methylthio)pyrimidin-4-yl)methanone, 4-[(4-benzylpiperidin-1-yl)carbonyl]-5-chloro-2-(methylthio)pyrimidine, (4-benzylpiperidin-1-yl)[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]methanone
| Molecular Formula | C18H20ClN3OS |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.9468 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.10156 |
| Heavy Atoms | 24 |
| Complexity | 702.665 |
Chemical Identifiers
| CAS Number | 838265-44-4 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl |
Product Overview
4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine (CAS 838265-44-4), with molecular formula C18H20ClN3OS and molecular weight 361.10 g/mol. IUPAC: (4-benzylpiperidin-1-yl)-(5-chloro-2-methylsulfanylpyrimidin-4-yl)methanone.
Chemical Property Profile of 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine
Property Insights of 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine
The XLogP value of 3.9468 indicates that 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine has 0 hydrogen bond donor(s) and 4 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-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine?
The CAS number of 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine is 838265-44-4.
What is the molecular formula of 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine?
The molecular formula of 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine is C18H20ClN3OS.
What is the molecular weight of 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine?
The molecular weight of 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine is 361.10 g/mol.
Where can I buy 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine?
You can request a quote for 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-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 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Benzylpiperidine-1-carbonyl)-5-chloro-2-(methylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.