1-Butylpyrrole
TL;DR: 1-Butylpyrrole (CAS 589-33-3) is a chemical compound with molecular formula C8H13N and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylpyrrole
Also Known As: 1-Butylpyrrole, N-Butylpyrrole, 1-Butyl-1H-pyrrole, 1-n-Butylpyrrole, Pyrrole, 1-butyl-
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 589-33-3 |
|---|---|
| SMILES | CCCCN1C=CC=C1 |
| InChIKey | IIYSNNBEZBAQCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butylpyrrole (CAS 589-33-3), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 1-butylpyrrole.
Chemical Property Profile of 1-Butylpyrrole
Property Insights of 1-Butylpyrrole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butylpyrrole. With a topological polar surface area (TPSA) of 4.9 Ų, 1-Butylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylpyrrole 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-Butylpyrrole?
The CAS number of 1-Butylpyrrole is 589-33-3.
What is the molecular formula of 1-Butylpyrrole?
The molecular formula of 1-Butylpyrrole is C8H13N.
What is the molecular weight of 1-Butylpyrrole?
The molecular weight of 1-Butylpyrrole is 123.10 g/mol.
Where can I buy 1-Butylpyrrole?
You can request a quote for 1-Butylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.