2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
TL;DR: 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (CAS 838842-65-2) is a chemical compound with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
Also Known As: 2-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate, o-Tolyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate, (2-methylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
| Molecular Formula | C13H11ClN2O2S |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 3.37952 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.02298 |
| Heavy Atoms | 19 |
| Complexity | 619.3422 |
Chemical Identifiers
| CAS Number | 838842-65-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (CAS 838842-65-2), with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol. IUPAC: (2-methylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate.
Chemical Property Profile of 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Property Insights of 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
The XLogP value of 3.37952 indicates that 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate 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-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The CAS number of 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is 838842-65-2.
What is the molecular formula of 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The molecular formula of 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is C13H11ClN2O2S.
What is the molecular weight of 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The molecular weight of 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is 294.02 g/mol.
Where can I buy 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
You can request a quote for 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.