Methyl 4-phenyl-1H-pyrrole-3-carboxylate
TL;DR: Methyl 4-phenyl-1H-pyrrole-3-carboxylate (CAS 40167-34-8) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-phenyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-phenyl-1H-pyrrole-3-carboxylate, 4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER, Methyl 4-phenylpyrrole-3-carboxylate, methyl 4-phenyl-3-pyrrolcarboxylate, 6-Chloro-1H-pyrrolo[3,2-b]pyridine
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.4683 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 459.48416 |
Chemical Identifiers
| CAS Number | 40167-34-8 |
|---|---|
| SMILES | COC(=O)C1=CNC=C1C2=CC=CC=C2 |
Product Overview
Methyl 4-phenyl-1H-pyrrole-3-carboxylate (CAS 40167-34-8), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: methyl 4-phenyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Methyl 4-phenyl-1H-pyrrole-3-carboxylate
Property Insights of Methyl 4-phenyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.4683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-phenyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, Methyl 4-phenyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-phenyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 2 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 4-phenyl-1H-pyrrole-3-carboxylate?
The CAS number of Methyl 4-phenyl-1H-pyrrole-3-carboxylate is 40167-34-8.
What is the molecular formula of Methyl 4-phenyl-1H-pyrrole-3-carboxylate?
The molecular formula of Methyl 4-phenyl-1H-pyrrole-3-carboxylate is C12H11NO2.
What is the molecular weight of Methyl 4-phenyl-1H-pyrrole-3-carboxylate?
The molecular weight of Methyl 4-phenyl-1H-pyrrole-3-carboxylate is 201.08 g/mol.
Where can I buy Methyl 4-phenyl-1H-pyrrole-3-carboxylate?
You can request a quote for Methyl 4-phenyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-phenyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-phenyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.