Methyl pyrrole-2-carboxylate
TL;DR: Methyl pyrrole-2-carboxylate (CAS 1193-62-0) is a chemical compound with molecular formula COC(=O)C1=CC=CN1 and molecular weight 125.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1H-pyrrole-2-carboxylate
Also Known As: Methyl 1H-pyrrole-2-carboxylate, Methyl pyrrole-2-carboxylate, Methyl 2-pyrrolecarboxylate, null, Methyl1H-pyrrole-2-carboxylate
| Molecular Formula | COC(=O)C1=CC=CN1 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 1193-62-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CN1 |
| InChIKey | VONGYFFEWFJHNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl pyrrole-2-carboxylate (CAS 1193-62-0), with molecular formula COC(=O)C1=CC=CN1 and molecular weight 125.05 g/mol. IUPAC: methyl 1H-pyrrole-2-carboxylate.
Chemical Property Profile of Methyl pyrrole-2-carboxylate
Property Insights of Methyl pyrrole-2-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Methyl pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pyrrole-2-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 pyrrole-2-carboxylate?
The CAS number of Methyl pyrrole-2-carboxylate is 1193-62-0.
What is the molecular formula of Methyl pyrrole-2-carboxylate?
The molecular formula of Methyl pyrrole-2-carboxylate is COC(=O)C1=CC=CN1.
What is the molecular weight of Methyl pyrrole-2-carboxylate?
The molecular weight of Methyl pyrrole-2-carboxylate is 125.05 g/mol.
Where can I buy Methyl pyrrole-2-carboxylate?
You can request a quote for Methyl 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 pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.