4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate
TL;DR: 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate (CAS 477870-75-0) is a chemical compound with molecular formula C18H12N2O3 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-formylpyrimidin-2-yl)phenyl] benzoate
Also Known As: 4-(4-formyl-2-pyrimidinyl)phenyl benzenecarboxylate, 4-(4-formylpyrimidin-2-yl)phenyl benzoate, [4-(4-formylpyrimidin-2-yl)phenyl] benzoate, 4-(4-formylpyrimidin-2-yl)phenylbenzoate, 1R-0097
| Molecular Formula | C18H12N2O3 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.1753 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.08478 |
| Heavy Atoms | 23 |
| Complexity | 830.40027 |
Chemical Identifiers
| CAS Number | 477870-75-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C=O |
Product Overview
4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate (CAS 477870-75-0), with molecular formula C18H12N2O3 and molecular weight 304.08 g/mol. IUPAC: [4-(4-formylpyrimidin-2-yl)phenyl] benzoate.
Chemical Property Profile of 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate
Property Insights of 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate
The XLogP value of 3.1753 indicates that 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate. Following Lipinski's Rule of Five, 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate 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 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate?
The CAS number of 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate is 477870-75-0.
What is the molecular formula of 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate?
The molecular formula of 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate is C18H12N2O3.
What is the molecular weight of 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate?
The molecular weight of 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate is 304.08 g/mol.
Where can I buy 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate?
You can request a quote for 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Formyl-2-pyrimidinyl)phenyl benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.