吡咯-2-甲酸
TL;DR: 吡咯-2-甲酸 (CAS 634-97-9) 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.
吡咯-2-甲酸
1H-pyrrole-2-carboxylic acid
Also Known As: PYRROLE-2-CARBOXYLIC ACID, 1H-Pyrrole-2-carboxylic acid, Minaline, Minalin, 2-Pyrrolecarboxylic acid
| Molecular Formula | C5H5NO2 |
|---|---|
| Molecular Weight | 111.03 g/mol |
| LogP | 0.8 |
| 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 | 634-97-9 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)O |
| InChIKey | WRHZVMBBRYBTKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡咯-2-甲酸 (CAS 634-97-9), with molecular formula C5H5NO2 and molecular weight 111.03 g/mol. IUPAC: 1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 吡咯-2-甲酸
Property Insights of 吡咯-2-甲酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡咯-2-甲酸. With a topological polar surface area (TPSA) of 53.1 Ų, 吡咯-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡咯-2-甲酸 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 吡咯-2-甲酸?
The CAS number of 吡咯-2-甲酸 is 634-97-9.
What is the molecular formula of 吡咯-2-甲酸?
The molecular formula of 吡咯-2-甲酸 is C5H5NO2.
What is the molecular weight of 吡咯-2-甲酸?
The molecular weight of 吡咯-2-甲酸 is 111.03 g/mol.
Where can I buy 吡咯-2-甲酸?
You can request a quote for 吡咯-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡咯-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 吡咯-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.