1H-pyrrole-3-carboxylate
TL;DR: 1H-pyrrole-3-carboxylate (CAS 336100-46-0) is a chemical compound with molecular formula C5H4NO2- and molecular weight 110.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrrole-3-carboxylate
Also Known As: 1H-pyrrole-3-carboxylate, Pyrrole-3-carboxylic acid hydrate
| Molecular Formula | C5H4NO2- |
|---|---|
| Molecular Weight | 110.02 g/mol |
| LogP | -0.6218 |
| Topological Polar Surface Area | 55.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.0242 |
| Heavy Atoms | 8 |
| Complexity | 178.31856 |
Chemical Identifiers
| CAS Number | 336100-46-0 |
|---|---|
| SMILES | C1=CNC=C1C(=O)[O-] |
Product Overview
1H-pyrrole-3-carboxylate (CAS 336100-46-0), with molecular formula C5H4NO2- and molecular weight 110.02 g/mol. IUPAC: 1H-pyrrole-3-carboxylate.
Chemical Property Profile of 1H-pyrrole-3-carboxylate
Property Insights of 1H-pyrrole-3-carboxylate
The XLogP value of -0.6218 indicates that 1H-pyrrole-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.92 Ų, 1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-pyrrole-3-carboxylate 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 1H-pyrrole-3-carboxylate?
The CAS number of 1H-pyrrole-3-carboxylate is 336100-46-0.
What is the molecular formula of 1H-pyrrole-3-carboxylate?
The molecular formula of 1H-pyrrole-3-carboxylate is C5H4NO2-.
What is the molecular weight of 1H-pyrrole-3-carboxylate?
The molecular weight of 1H-pyrrole-3-carboxylate is 110.02 g/mol.
Where can I buy 1H-pyrrole-3-carboxylate?
You can request a quote for 1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.