4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate
TL;DR: 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate (CAS 889304-60-3) is a chemical compound with molecular formula C14H11ClN2O4S and molecular weight 338.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycarbonylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
Also Known As: VU0608941-1, F3290-0077, 4-(methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate, 4-(methoxycarbonyl)phenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate, (4-methoxycarbonylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
| Molecular Formula | C14H11ClN2O4S |
|---|---|
| Molecular Weight | 338.01 g/mol |
| LogP | 2.8577 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.01282 |
| Heavy Atoms | 22 |
| Complexity | 706.4891 |
Chemical Identifiers
| CAS Number | 889304-60-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate (CAS 889304-60-3), with molecular formula C14H11ClN2O4S and molecular weight 338.01 g/mol. IUPAC: (4-methoxycarbonylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate.
Chemical Property Profile of 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate
Property Insights of 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate
The XLogP value of 2.8577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate has 0 hydrogen bond donor(s) and 7 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 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate?
The CAS number of 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate is 889304-60-3.
What is the molecular formula of 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate?
The molecular formula of 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate is C14H11ClN2O4S.
What is the molecular weight of 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate?
The molecular weight of 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate is 338.01 g/mol.
Where can I buy 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate?
You can request a quote for 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)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 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxycarbonyl)phenyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.