2-tert-butyl-1H-pyrrole
TL;DR: 2-tert-butyl-1H-pyrrole (CAS 61186-92-3) 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.
2-tert-butyl-1H-pyrrole
Also Known As: tert-butylpyrrole, 2-t-butylpyrrole, 2-tert-butyl-1H-pyrrole, 2-(tert-butyl)pyrrole, 1H-Pyrrole,2- -
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 61186-92-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CN1 |
| InChIKey | AJPCQTXGHLEGAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-butyl-1H-pyrrole (CAS 61186-92-3), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 2-tert-butyl-1H-pyrrole.
Chemical Property Profile of 2-tert-butyl-1H-pyrrole
Property Insights of 2-tert-butyl-1H-pyrrole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-butyl-1H-pyrrole. With a topological polar surface area (TPSA) of 15.8 Ų, 2-tert-butyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-butyl-1H-pyrrole 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-tert-butyl-1H-pyrrole?
The CAS number of 2-tert-butyl-1H-pyrrole is 61186-92-3.
What is the molecular formula of 2-tert-butyl-1H-pyrrole?
The molecular formula of 2-tert-butyl-1H-pyrrole is C8H13N.
What is the molecular weight of 2-tert-butyl-1H-pyrrole?
The molecular weight of 2-tert-butyl-1H-pyrrole is 123.10 g/mol.
Where can I buy 2-tert-butyl-1H-pyrrole?
You can request a quote for 2-tert-butyl-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.