Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate
TL;DR: Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate (CAS 400077-53-4) is a chemical compound with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxylate
Also Known As: 1E-908, methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate, methyl 2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxylate, Methyl 4-(pyridin-4-yl)-2-(p-tolyl)pyrimidine-5-carboxylate, methyl 2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carboxylate
| Molecular Formula | C18H15N3O2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 3.30062 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.11642 |
| Heavy Atoms | 23 |
| Complexity | 830.6454 |
Chemical Identifiers
| CAS Number | 400077-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=NC=C3)C(=O)OC |
Product Overview
Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate (CAS 400077-53-4), with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol. IUPAC: methyl 2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate
Property Insights of Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate
The XLogP value of 3.30062 indicates that Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate 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 Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate?
The CAS number of Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate is 400077-53-4.
What is the molecular formula of Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate?
The molecular formula of Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate is C18H15N3O2.
What is the molecular weight of Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate?
The molecular weight of Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate is 305.12 g/mol.
Where can I buy Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate?
You can request a quote for Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-methylphenyl)-4-(4-pyridinyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.