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Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate
TL;DR: Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate (CAS 478029-22-0) is a chemical compound with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-(4-chlorophenyl)pyrimidin-2-yl]oxythiophene-2-carboxylate
Also Known As: methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate, methyl 3-{[5-(4-chlorophenyl)pyrimidin-2-yl]oxy}thiophene-2-carboxylate, 2R-1027, methyl 3-[5-(4-chlorophenyl)pyrimidin-2-yl]oxythiophene-2-carboxylate, methyl3-{[5-(4-chlorophenyl)pyrimidin-2-yl]oxy}thiophene-2-carboxylate
| Molecular Formula | C16H11ClN2O3S |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 4.4374 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.01788 |
| Heavy Atoms | 23 |
| Complexity | 816.10156 |
Chemical Identifiers
| CAS Number | 478029-22-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)OC2=NC=C(C=N2)C3=CC=C(C=C3)Cl |
Product Overview
Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate (CAS 478029-22-0), with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol. IUPAC: methyl 3-[5-(4-chlorophenyl)pyrimidin-2-yl]oxythiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate
Property Insights of Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate
The XLogP value of 4.4374 indicates that Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 6 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 Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate?
The CAS number of Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate is 478029-22-0.
What is the molecular formula of Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate?
The molecular formula of Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate is C16H11ClN2O3S.
What is the molecular weight of Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate?
The molecular weight of Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate is 346.02 g/mol.
Where can I buy Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate?
You can request a quote for Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[5-(4-chlorophenyl)-2-pyrimidinyl]oxy}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.