1-(1-Methylpropyl)-1H-pyrrole
TL;DR: 1-(1-Methylpropyl)-1H-pyrrole (CAS 17289-36-0) 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-butan-2-ylpyrrole
Also Known As: 1-s-butylpyrrole, 1-butan-2-ylpyrrole, 1-(1-Methylpropyl)-1H-pyrrole, 1-(butan-2-yl)-1H-pyrrole, J3.285.322F
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 17289-36-0 |
|---|---|
| SMILES | CCC(C)N1C=CC=C1 |
| InChIKey | KOEJVCMGZYKEQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Methylpropyl)-1H-pyrrole (CAS 17289-36-0), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 1-butan-2-ylpyrrole.
Chemical Property Profile of 1-(1-Methylpropyl)-1H-pyrrole
Property Insights of 1-(1-Methylpropyl)-1H-pyrrole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methylpropyl)-1H-pyrrole. With a topological polar surface area (TPSA) of 4.9 Ų, 1-(1-Methylpropyl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methylpropyl)-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-(1-Methylpropyl)-1H-pyrrole?
The CAS number of 1-(1-Methylpropyl)-1H-pyrrole is 17289-36-0.
What is the molecular formula of 1-(1-Methylpropyl)-1H-pyrrole?
The molecular formula of 1-(1-Methylpropyl)-1H-pyrrole is C8H13N.
What is the molecular weight of 1-(1-Methylpropyl)-1H-pyrrole?
The molecular weight of 1-(1-Methylpropyl)-1H-pyrrole is 123.10 g/mol.
Where can I buy 1-(1-Methylpropyl)-1H-pyrrole?
You can request a quote for 1-(1-Methylpropyl)-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-(1-Methylpropyl)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylpropyl)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.