Pyrrole-3-carboxylic acid
TL;DR: Pyrrole-3-carboxylic acid (CAS 931-03-3) is a chemical compound with molecular formula C5H5NO2 and molecular weight 111.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrrole-3-carboxylic acid
Also Known As: Pyrrole-3-carboxylic acid, 1H-pyrrole-3-carboxylic acid, null, pyrrole-3-carboxylicacid, 3-pyrrolecarboxylic acid
| Molecular Formula | C5H5NO2 |
|---|---|
| Molecular Weight | 111.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.03203 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 931-03-3 |
|---|---|
| SMILES | C1=CNC=C1C(=O)O |
| InChIKey | DOYOPBSXEIZLRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrole-3-carboxylic acid (CAS 931-03-3), with molecular formula C5H5NO2 and molecular weight 111.03 g/mol. IUPAC: 1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of Pyrrole-3-carboxylic acid
Property Insights of Pyrrole-3-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-3-carboxylic acid. With a topological polar surface area (TPSA) of 53.1 Ų, Pyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrole-3-carboxylic 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 Pyrrole-3-carboxylic acid?
The CAS number of Pyrrole-3-carboxylic acid is 931-03-3.
What is the molecular formula of Pyrrole-3-carboxylic acid?
The molecular formula of Pyrrole-3-carboxylic acid is C5H5NO2.
What is the molecular weight of Pyrrole-3-carboxylic acid?
The molecular weight of Pyrrole-3-carboxylic acid is 111.03 g/mol.
Where can I buy Pyrrole-3-carboxylic acid?
You can request a quote for Pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.