2-Butyl-1-ethynylpyrrole
TL;DR: 2-Butyl-1-ethynylpyrrole (CAS 166543-87-9) is a chemical compound with molecular formula C10H13N and molecular weight 147.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1-ethynylpyrrole
Also Known As: 2-butyl-1-ethynylpyrrole, 2-butyl-1-ethynyl-pyrrole, 1H-Pyrrole, 2-butyl-1-ethynyl- (9CI), 1H-PYRROLE, 2-BUTYL-1-ETHYNYL-
| Molecular Formula | C10H13N |
|---|---|
| Molecular Weight | 147.10 g/mol |
| LogP | 2.2695 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.1048 |
| Heavy Atoms | 11 |
| Complexity | 252.08165 |
Chemical Identifiers
| CAS Number | 166543-87-9 |
|---|---|
| SMILES | CCCCC1=CC=CN1C#C |
Product Overview
2-Butyl-1-ethynylpyrrole (CAS 166543-87-9), with molecular formula C10H13N and molecular weight 147.10 g/mol. IUPAC: 2-butyl-1-ethynylpyrrole.
Chemical Property Profile of 2-Butyl-1-ethynylpyrrole
Property Insights of 2-Butyl-1-ethynylpyrrole
The XLogP value of 2.2695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-1-ethynylpyrrole. With a topological polar surface area (TPSA) of 4.93 Ų, 2-Butyl-1-ethynylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-1-ethynylpyrrole 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 2-Butyl-1-ethynylpyrrole?
The CAS number of 2-Butyl-1-ethynylpyrrole is 166543-87-9.
What is the molecular formula of 2-Butyl-1-ethynylpyrrole?
The molecular formula of 2-Butyl-1-ethynylpyrrole is C10H13N.
What is the molecular weight of 2-Butyl-1-ethynylpyrrole?
The molecular weight of 2-Butyl-1-ethynylpyrrole is 147.10 g/mol.
Where can I buy 2-Butyl-1-ethynylpyrrole?
You can request a quote for 2-Butyl-1-ethynylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-1-ethynylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-1-ethynylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.