3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
TL;DR: 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (CAS 836666-19-4) is a chemical compound with molecular formula C14H13ClN2O2S and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
Also Known As: 3,4-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate, (3,4-dimethylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate, 3,4-dimethylphenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate
| Molecular Formula | C14H13ClN2O2S |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 3.68794 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.03864 |
| Heavy Atoms | 20 |
| Complexity | 661.6173 |
Chemical Identifiers
| CAS Number | 836666-19-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SC)C |
Product Overview
3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (CAS 836666-19-4), with molecular formula C14H13ClN2O2S and molecular weight 308.04 g/mol. IUPAC: (3,4-dimethylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate.
Chemical Property Profile of 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Property Insights of 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
The XLogP value of 3.68794 indicates that 3,4-Dimethylphenyl 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, 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylphenyl 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 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The CAS number of 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is 836666-19-4.
What is the molecular formula of 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The molecular formula of 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is C14H13ClN2O2S.
What is the molecular weight of 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The molecular weight of 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is 308.04 g/mol.
Where can I buy 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
You can request a quote for 3,4-Dimethylphenyl 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 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.