Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate
TL;DR: Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate (CAS 259089-69-5) is a chemical compound with molecular formula C13H10FNO3 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-fluorophenyl)-5-formylpyrrole-2-carboxylate
Also Known As: Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate, methyl 1-(4-fluorophenyl)-5-formylpyrrole-2-carboxylate, METHYL1-(4-FLUOROPHENYL)-5-FORMYL-1H-PYRROLE-2-CARBOXYLATE
| Molecular Formula | C13H10FNO3 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 2.2155 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.06447 |
| Heavy Atoms | 18 |
| Complexity | 586.7839 |
Chemical Identifiers
| CAS Number | 259089-69-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(N1C2=CC=C(C=C2)F)C=O |
Product Overview
Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate (CAS 259089-69-5), with molecular formula C13H10FNO3 and molecular weight 247.06 g/mol. IUPAC: methyl 1-(4-fluorophenyl)-5-formylpyrrole-2-carboxylate.
Chemical Property Profile of Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate
Property Insights of Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate
The XLogP value of 2.2155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate has 0 hydrogen bond donor(s) and 3 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 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate?
The CAS number of Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate is 259089-69-5.
What is the molecular formula of Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate?
The molecular formula of Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate is C13H10FNO3.
What is the molecular weight of Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate?
The molecular weight of Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate is 247.06 g/mol.
Where can I buy Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate?
You can request a quote for Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-Fluorophenyl)-5-Formyl-1H-Pyrrole-2-Carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.