2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
TL;DR: 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate (CAS 833435-97-5) is a chemical compound with molecular formula C13H9Cl3N2O2S and molecular weight 361.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl) 5-chloro-2-ethylsulfanylpyrimidine-4-carboxylate
Also Known As: 2,4-dichlorophenyl 5-chloro-2-(ethylthio)pyrimidine-4-carboxylate, (2,4-dichlorophenyl) 5-chloro-2-ethylsulfanylpyrimidine-4-carboxylate, 2,4-dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
| Molecular Formula | C13H9Cl3N2O2S |
|---|---|
| Molecular Weight | 361.95 g/mol |
| LogP | 4.768 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.94504 |
| Heavy Atoms | 21 |
| Complexity | 682.4611 |
Chemical Identifiers
| CAS Number | 833435-97-5 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)C(=O)OC2=C(C=C(C=C2)Cl)Cl)Cl |
Product Overview
2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate (CAS 833435-97-5), with molecular formula C13H9Cl3N2O2S and molecular weight 361.95 g/mol. IUPAC: (2,4-dichlorophenyl) 5-chloro-2-ethylsulfanylpyrimidine-4-carboxylate.
Chemical Property Profile of 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
Property Insights of 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
The XLogP value of 4.768 indicates that 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)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, 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)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 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate?
The CAS number of 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate is 833435-97-5.
What is the molecular formula of 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate?
The molecular formula of 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate is C13H9Cl3N2O2S.
What is the molecular weight of 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate?
The molecular weight of 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate is 361.95 g/mol.
Where can I buy 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate?
You can request a quote for 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)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 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.