Methyl 4-(1H-pyrrol-1-yl)benzoate
TL;DR: Methyl 4-(1H-pyrrol-1-yl)benzoate (CAS 23351-08-8) 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-pyrrol-1-ylbenzoate
Also Known As: Methyl 4-(1H-pyrrol-1-yl)benzoate, Methyl 4-(pyrrol-1-yl)benzoate, methyl 4-pyrrol-1-ylbenzoate, methyl 4-pyrrolylbenzoate, Methyl 4-(1-pyrrolyl)benzoate
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 23351-08-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C=CC=C2 |
| InChIKey | XCBRROUJSCMUGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(1H-pyrrol-1-yl)benzoate (CAS 23351-08-8), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: methyl 4-pyrrol-1-ylbenzoate.
Chemical Property Profile of Methyl 4-(1H-pyrrol-1-yl)benzoate
Property Insights of Methyl 4-(1H-pyrrol-1-yl)benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1H-pyrrol-1-yl)benzoate. With a topological polar surface area (TPSA) of 31.2 Ų, Methyl 4-(1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(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 4-(1H-pyrrol-1-yl)benzoate?
The CAS number of Methyl 4-(1H-pyrrol-1-yl)benzoate is 23351-08-8.
What is the molecular formula of Methyl 4-(1H-pyrrol-1-yl)benzoate?
The molecular formula of Methyl 4-(1H-pyrrol-1-yl)benzoate is C12H11NO2.
What is the molecular weight of Methyl 4-(1H-pyrrol-1-yl)benzoate?
The molecular weight of Methyl 4-(1H-pyrrol-1-yl)benzoate is 201.08 g/mol.
Where can I buy Methyl 4-(1H-pyrrol-1-yl)benzoate?
You can request a quote for Methyl 4-(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 4-(1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.