1-Methyl-1H-pyrrole-2-acetic acid
TL;DR: 1-Methyl-1H-pyrrole-2-acetic acid (CAS 21898-59-9) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpyrrol-2-yl)acetic acid
Also Known As: 1-Methylpyrrole-2-acetic acid, 1-Methyl-pyrrole-2-acetic acid, 1-Methyl-1H-pyrrole-2-acetic acid, 2-(1-methylpyrrol-2-yl)acetic acid, 1h-pyrrole-2-acetic acid, 1-methyl-
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 21898-59-9 |
|---|---|
| SMILES | CN1C=CC=C1CC(=O)O |
| InChIKey | SYYOUHJJSOLSJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1H-pyrrole-2-acetic acid (CAS 21898-59-9), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 2-(1-methylpyrrol-2-yl)acetic acid.
Chemical Property Profile of 1-Methyl-1H-pyrrole-2-acetic acid
Property Insights of 1-Methyl-1H-pyrrole-2-acetic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1H-pyrrole-2-acetic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 1-Methyl-1H-pyrrole-2-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1H-pyrrole-2-acetic acid 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 1-Methyl-1H-pyrrole-2-acetic acid?
The CAS number of 1-Methyl-1H-pyrrole-2-acetic acid is 21898-59-9.
What is the molecular formula of 1-Methyl-1H-pyrrole-2-acetic acid?
The molecular formula of 1-Methyl-1H-pyrrole-2-acetic acid is C7H9NO2.
What is the molecular weight of 1-Methyl-1H-pyrrole-2-acetic acid?
The molecular weight of 1-Methyl-1H-pyrrole-2-acetic acid is 139.06 g/mol.
Where can I buy 1-Methyl-1H-pyrrole-2-acetic acid?
You can request a quote for 1-Methyl-1H-pyrrole-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1H-pyrrole-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1H-pyrrole-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.