1-甲基-2-吡咯甲酸
TL;DR: 1-甲基-2-吡咯甲酸 (CAS 6973-60-0) is a chemical compound with molecular formula C6H7NO2 and molecular weight 125.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-2-吡咯甲酸
1-methylpyrrole-2-carboxylic acid
Also Known As: 1-Methyl-2-pyrrolecarboxylic acid, 1-Methyl-1H-pyrrole-2-carboxylic acid, N-Methylpyrrole-2-carboxylic acid, 1-Methylpyrrole-2-carboxylic acid, null
| Molecular Formula | C6H7NO2 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 6973-60-0 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)O |
| InChIKey | ILAOVOOZLVGAJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基-2-吡咯甲酸 (CAS 6973-60-0), with molecular formula C6H7NO2 and molecular weight 125.05 g/mol. IUPAC: 1-methylpyrrole-2-carboxylic acid.
Chemical Property Profile of 1-甲基-2-吡咯甲酸
Property Insights of 1-甲基-2-吡咯甲酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基-2-吡咯甲酸. With a topological polar surface area (TPSA) of 42.2 Ų, 1-甲基-2-吡咯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基-2-吡咯甲酸 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-甲基-2-吡咯甲酸?
The CAS number of 1-甲基-2-吡咯甲酸 is 6973-60-0.
What is the molecular formula of 1-甲基-2-吡咯甲酸?
The molecular formula of 1-甲基-2-吡咯甲酸 is C6H7NO2.
What is the molecular weight of 1-甲基-2-吡咯甲酸?
The molecular weight of 1-甲基-2-吡咯甲酸 is 125.05 g/mol.
Where can I buy 1-甲基-2-吡咯甲酸?
You can request a quote for 1-甲基-2-吡咯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-2-吡咯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-2-吡咯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.