4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate
TL;DR: 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate (CAS 477870-91-0) is a chemical compound with molecular formula C18H11FN2O3 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-formylpyrimidin-2-yl)phenyl] 4-fluorobenzoate
Also Known As: 4-(4-formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate, [4-(4-formylpyrimidin-2-yl)phenyl] 4-fluorobenzoate, 4-(4-formylpyrimidin-2-yl)phenyl 4-fluorobenzoate, 4-(4-formylpyrimidin-2-yl)phenyl4-fluorobenzoate, C18H11FN2O3
| Molecular Formula | C18H11FN2O3 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 3.3144 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.07538 |
| Heavy Atoms | 24 |
| Complexity | 877.5255 |
Chemical Identifiers
| CAS Number | 477870-91-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC=CC(=N2)C=O)OC(=O)C3=CC=C(C=C3)F |
Product Overview
4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate (CAS 477870-91-0), with molecular formula C18H11FN2O3 and molecular weight 322.08 g/mol. IUPAC: [4-(4-formylpyrimidin-2-yl)phenyl] 4-fluorobenzoate.
Chemical Property Profile of 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate
Property Insights of 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate
The XLogP value of 3.3144 indicates that 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate 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 4-fluorobenzenecarboxylate. Following Lipinski's Rule of Five, 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate 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 4-fluorobenzenecarboxylate?
The CAS number of 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate is 477870-91-0.
What is the molecular formula of 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate?
The molecular formula of 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate is C18H11FN2O3.
What is the molecular weight of 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate?
The molecular weight of 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate is 322.08 g/mol.
Where can I buy 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate?
You can request a quote for 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate 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 4-fluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Formyl-2-pyrimidinyl)phenyl 4-fluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.