Methyl 2-(1H-pyrrol-1-yl)benzoate
TL;DR: Methyl 2-(1H-pyrrol-1-yl)benzoate (CAS 10333-67-2) 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 2-pyrrol-1-ylbenzoate
Also Known As: methyl 2-(1H-pyrrol-1-yl)benzoate, Methyl 2-pyrrol-1-ylbenzoate, 1-(2-Methoxycarbonylphenyl)pyrrole, Methyl 2-pyrrol-1-yl-benzate, methyl 2-pyrrolylbenzoate
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.2639 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 460.23416 |
Chemical Identifiers
| CAS Number | 10333-67-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N2C=CC=C2 |
Product Overview
Methyl 2-(1H-pyrrol-1-yl)benzoate (CAS 10333-67-2), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: methyl 2-pyrrol-1-ylbenzoate.
Chemical Property Profile of Methyl 2-(1H-pyrrol-1-yl)benzoate
Property Insights of Methyl 2-(1H-pyrrol-1-yl)benzoate
The XLogP value of 2.2639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1H-pyrrol-1-yl)benzoate. With a topological polar surface area (TPSA) of 31.23 Ų, Methyl 2-(1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(1H-pyrrol-1-yl)benzoate has 0 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 2-(1H-pyrrol-1-yl)benzoate?
The CAS number of Methyl 2-(1H-pyrrol-1-yl)benzoate is 10333-67-2.
What is the molecular formula of Methyl 2-(1H-pyrrol-1-yl)benzoate?
The molecular formula of Methyl 2-(1H-pyrrol-1-yl)benzoate is C12H11NO2.
What is the molecular weight of Methyl 2-(1H-pyrrol-1-yl)benzoate?
The molecular weight of Methyl 2-(1H-pyrrol-1-yl)benzoate is 201.08 g/mol.
Where can I buy Methyl 2-(1H-pyrrol-1-yl)benzoate?
You can request a quote for Methyl 2-(1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.