5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine
TL;DR: 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine (CAS 898648-31-2) is a chemical compound with molecular formula C10H12ClN3OS and molecular weight 257.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
Also Known As: 5-chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine, (5-Chloro-2-(methylthio)pyrimidin-4-yl)(pyrrolidin-1-yl)methanone, (5-chloro-2-methylsulfanylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
| Molecular Formula | C10H12ClN3OS |
|---|---|
| Molecular Weight | 257.04 g/mol |
| LogP | 2.0879 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.03897 |
| Heavy Atoms | 16 |
| Complexity | 407.05066 |
Chemical Identifiers
| CAS Number | 898648-31-2 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)N2CCCC2)Cl |
Product Overview
5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine (CAS 898648-31-2), with molecular formula C10H12ClN3OS and molecular weight 257.04 g/mol. IUPAC: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine
Property Insights of 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine
The XLogP value of 2.0879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine. With a topological polar surface area (TPSA) of 46.09 Ų, 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)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 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine?
The CAS number of 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine is 898648-31-2.
What is the molecular formula of 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine?
The molecular formula of 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine is C10H12ClN3OS.
What is the molecular weight of 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine?
The molecular weight of 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine is 257.04 g/mol.
Where can I buy 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine?
You can request a quote for 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-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 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(methylsulfanyl)-4-(pyrrolidine-1-carbonyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.