2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine
TL;DR: 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine (CAS 838267-49-5) is a chemical compound with molecular formula C17H19ClN4OS and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzylsulfanyl-5-chloropyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
Also Known As: 2-(benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine, (2-benzylsulfanyl-5-chloropyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone, (2-benzylsulfanyl-5-chloro-pyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone, [2-(benzylsulfanyl)-5-chloropyrimidin-4-yl](4-methylpiperazin-1-yl)methanone
| Molecular Formula | C17H19ClN4OS |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 2.8099 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.0968 |
| Heavy Atoms | 24 |
| Complexity | 704.99164 |
Chemical Identifiers
| CAS Number | 838267-49-5 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3 |
Product Overview
2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine (CAS 838267-49-5), with molecular formula C17H19ClN4OS and molecular weight 362.10 g/mol. IUPAC: (2-benzylsulfanyl-5-chloropyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine
Property Insights of 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine
The XLogP value of 2.8099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine. With a topological polar surface area (TPSA) of 49.33 Ų, 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine has 0 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 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine?
The CAS number of 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine is 838267-49-5.
What is the molecular formula of 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine?
The molecular formula of 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine is C17H19ClN4OS.
What is the molecular weight of 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine?
The molecular weight of 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine is 362.10 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine?
You can request a quote for 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5-chloro-4-(4-methylpiperazine-1-carbonyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.