3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid
TL;DR: 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid (CAS 83863-74-5) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-1-methylpyrrole-3-carboxylic acid
Also Known As: 2-(Carboxymethyl)-1-methyl-1H-pyrrole-3-carboxylic acid, 2-Carboxymethyl-1-methylpyrrole-3-carboxylic acid, EINECS 281-140-1, 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid, 2-carboxymethyl-1-methylp...
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.3504 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 353.02603 |
Chemical Identifiers
| CAS Number | 83863-74-5 |
|---|---|
| SMILES | CN1C=CC(=C1CC(=O)O)C(=O)O |
Product Overview
3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid (CAS 83863-74-5), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: 2-(carboxymethyl)-1-methylpyrrole-3-carboxylic acid.
Chemical Property Profile of 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid
Property Insights of 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid
The XLogP value of 0.3504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid. Following Lipinski's Rule of Five, 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid has 2 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 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid?
The CAS number of 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid is 83863-74-5.
What is the molecular formula of 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid?
The molecular formula of 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid is C8H9NO4.
What is the molecular weight of 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid?
The molecular weight of 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid is 183.05 g/mol.
Where can I buy 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid?
You can request a quote for 3-Carboxy-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 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.