Methyl 1-methylpyrrol-2-acetate
TL;DR: Methyl 1-methylpyrrol-2-acetate (CAS 51856-79-2) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-methylpyrrol-2-yl)acetate
Also Known As: Methyl 1-methyl-2-pyrroleacetate, methyl 2-(1-methyl-1H-pyrrol-2-yl)acetate, 1-Methylpyrrole-2-acetic Acid Methyl Ester, Methyl 1-methylpyrrole-2-acetate, Methyl 1-methylpyrrol-2-acetate
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 51856-79-2 |
|---|---|
| SMILES | CN1C=CC=C1CC(=O)OC |
| InChIKey | CGYVDYLHQYNGFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-methylpyrrol-2-acetate (CAS 51856-79-2), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: methyl 2-(1-methylpyrrol-2-yl)acetate.
Chemical Property Profile of Methyl 1-methylpyrrol-2-acetate
Property Insights of Methyl 1-methylpyrrol-2-acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-methylpyrrol-2-acetate. With a topological polar surface area (TPSA) of 31.2 Ų, Methyl 1-methylpyrrol-2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-methylpyrrol-2-acetate 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 1-methylpyrrol-2-acetate?
The CAS number of Methyl 1-methylpyrrol-2-acetate is 51856-79-2.
What is the molecular formula of Methyl 1-methylpyrrol-2-acetate?
The molecular formula of Methyl 1-methylpyrrol-2-acetate is C8H11NO2.
What is the molecular weight of Methyl 1-methylpyrrol-2-acetate?
The molecular weight of Methyl 1-methylpyrrol-2-acetate is 153.08 g/mol.
Where can I buy Methyl 1-methylpyrrol-2-acetate?
You can request a quote for Methyl 1-methylpyrrol-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-methylpyrrol-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-methylpyrrol-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.