1-(prop-2-yn-1-yl)-1H-pyrrole
TL;DR: 1-(prop-2-yn-1-yl)-1H-pyrrole (CAS 19016-98-9) is a chemical compound with molecular formula C7H7N and molecular weight 105.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-ynylpyrrole
Also Known As: 1-(prop-2-yn-1-yl)-1H-pyrrole, 1-prop-2-ynylpyrrole, N-(prop-2-ynyl)azole, 1-Propargyl-1H-pyrrole, 1H-Pyrrole, 1-(2-propyn-1-yl)-
| Molecular Formula | C7H7N |
|---|---|
| Molecular Weight | 105.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.057846 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 19016-98-9 |
|---|---|
| SMILES | C#CCN1C=CC=C1 |
| InChIKey | YSCMCDMJXLRCAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(prop-2-yn-1-yl)-1H-pyrrole (CAS 19016-98-9), with molecular formula C7H7N and molecular weight 105.06 g/mol. IUPAC: 1-prop-2-ynylpyrrole.
Chemical Property Profile of 1-(prop-2-yn-1-yl)-1H-pyrrole
Property Insights of 1-(prop-2-yn-1-yl)-1H-pyrrole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(prop-2-yn-1-yl)-1H-pyrrole. With a topological polar surface area (TPSA) of 4.9 Ų, 1-(prop-2-yn-1-yl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(prop-2-yn-1-yl)-1H-pyrrole has 0 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 1-(prop-2-yn-1-yl)-1H-pyrrole?
The CAS number of 1-(prop-2-yn-1-yl)-1H-pyrrole is 19016-98-9.
What is the molecular formula of 1-(prop-2-yn-1-yl)-1H-pyrrole?
The molecular formula of 1-(prop-2-yn-1-yl)-1H-pyrrole is C7H7N.
What is the molecular weight of 1-(prop-2-yn-1-yl)-1H-pyrrole?
The molecular weight of 1-(prop-2-yn-1-yl)-1H-pyrrole is 105.06 g/mol.
Where can I buy 1-(prop-2-yn-1-yl)-1H-pyrrole?
You can request a quote for 1-(prop-2-yn-1-yl)-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(prop-2-yn-1-yl)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(prop-2-yn-1-yl)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.