2-Allylpyrrole
TL;DR: 2-Allylpyrrole (CAS 20293-45-2) is a chemical compound with molecular formula C7H9N and molecular weight 107.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enyl-1H-pyrrole
Also Known As: 2-allylpyrrole, 2-Allyl-1H-pyrrole, 2-prop-2-enyl-1H-pyrrole, 1H-Pyrrole, 2-(2-propen-1-yl)-, 2-(prop-2-en-1-yl)-1H-pyrrole
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 107.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 107.0735 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 20293-45-2 |
|---|---|
| SMILES | C=CCC1=CC=CN1 |
| InChIKey | DCSJOYUSHGVMFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Allylpyrrole (CAS 20293-45-2), with molecular formula C7H9N and molecular weight 107.07 g/mol. IUPAC: 2-prop-2-enyl-1H-pyrrole.
Chemical Property Profile of 2-Allylpyrrole
Property Insights of 2-Allylpyrrole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Allylpyrrole. With a topological polar surface area (TPSA) of 15.8 Ų, 2-Allylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allylpyrrole has 1 hydrogen bond donor(s) and 0 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 2-Allylpyrrole?
The CAS number of 2-Allylpyrrole is 20293-45-2.
What is the molecular formula of 2-Allylpyrrole?
The molecular formula of 2-Allylpyrrole is C7H9N.
What is the molecular weight of 2-Allylpyrrole?
The molecular weight of 2-Allylpyrrole is 107.07 g/mol.
Where can I buy 2-Allylpyrrole?
You can request a quote for 2-Allylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Allylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.