Propyl pyrrole-1-carboxylate
TL;DR: Propyl pyrrole-1-carboxylate (CAS 6971-64-8) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl pyrrole-1-carboxylate
Also Known As: propyl pyrrole-1-carboxylate, propyl 1h-pyrrole-1-carboxylate, propylpyrrole-1-carboxylate
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 6971-64-8 |
|---|---|
| SMILES | CCCOC(=O)N1C=CC=C1 |
| InChIKey | DBYQZCZXRUOXIK-UHFFFAOYSA-N |
Product Overview
Propyl pyrrole-1-carboxylate (CAS 6971-64-8), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: propyl pyrrole-1-carboxylate.
Chemical Property Profile of Propyl pyrrole-1-carboxylate
Property Insights of Propyl pyrrole-1-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl pyrrole-1-carboxylate. With a topological polar surface area (TPSA) of 31.2 Ų, Propyl pyrrole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl pyrrole-1-carboxylate has 0 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 Propyl pyrrole-1-carboxylate?
The CAS number of Propyl pyrrole-1-carboxylate is 6971-64-8.
What is the molecular formula of Propyl pyrrole-1-carboxylate?
The molecular formula of Propyl pyrrole-1-carboxylate is C8H11NO2.
What is the molecular weight of Propyl pyrrole-1-carboxylate?
The molecular weight of Propyl pyrrole-1-carboxylate is 153.08 g/mol.
Where can I buy Propyl pyrrole-1-carboxylate?
You can request a quote for Propyl pyrrole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl pyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propyl pyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.