1-tert-Butylpyrrole
TL;DR: 1-tert-Butylpyrrole (CAS 5398-58-3) 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-tert-butylpyrrole
Also Known As: 1-tert-Butylpyrrole, 1-(tert-butyl)-1H-pyrrole, 1-tert-Butyl-1H-pyrrole, N-t-Butylpyrrole, N-tert-Butylpyrrole
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 5398-58-3 |
|---|---|
| SMILES | CC(C)(C)N1C=CC=C1 |
| InChIKey | GJIRIQBRSTYPSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butylpyrrole (CAS 5398-58-3), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 1-tert-butylpyrrole.
Chemical Property Profile of 1-tert-Butylpyrrole
Property Insights of 1-tert-Butylpyrrole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butylpyrrole. With a topological polar surface area (TPSA) of 4.9 Ų, 1-tert-Butylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-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-tert-Butylpyrrole?
The CAS number of 1-tert-Butylpyrrole is 5398-58-3.
What is the molecular formula of 1-tert-Butylpyrrole?
The molecular formula of 1-tert-Butylpyrrole is C8H13N.
What is the molecular weight of 1-tert-Butylpyrrole?
The molecular weight of 1-tert-Butylpyrrole is 123.10 g/mol.
Where can I buy 1-tert-Butylpyrrole?
You can request a quote for 1-tert-Butylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.