1H-Pyrrole, 1-methyl-2-propyl
TL;DR: 1H-Pyrrole, 1-methyl-2-propyl (CAS 60444-01-1) 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-methyl-2-propylpyrrole
Also Known As: 1-methyl-2-propylpyrrole, 1H-Pyrrole, 1-methyl-2-propyl, 1H-Pyrrole, 1-methyl-2-propyl-, 1-Methyl-2-propyl-1H-pyrrole
| 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 | 80.0 |
Chemical Identifiers
| CAS Number | 60444-01-1 |
|---|---|
| SMILES | CCCC1=CC=CN1C |
| InChIKey | REFXEKIEYCQSQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole, 1-methyl-2-propyl (CAS 60444-01-1), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 1-methyl-2-propylpyrrole.
Chemical Property Profile of 1H-Pyrrole, 1-methyl-2-propyl
Property Insights of 1H-Pyrrole, 1-methyl-2-propyl
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 1-methyl-2-propyl. With a topological polar surface area (TPSA) of 4.9 Ų, 1H-Pyrrole, 1-methyl-2-propyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 1-methyl-2-propyl 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 1H-Pyrrole, 1-methyl-2-propyl?
The CAS number of 1H-Pyrrole, 1-methyl-2-propyl is 60444-01-1.
What is the molecular formula of 1H-Pyrrole, 1-methyl-2-propyl?
The molecular formula of 1H-Pyrrole, 1-methyl-2-propyl is C8H13N.
What is the molecular weight of 1H-Pyrrole, 1-methyl-2-propyl?
The molecular weight of 1H-Pyrrole, 1-methyl-2-propyl is 123.10 g/mol.
Where can I buy 1H-Pyrrole, 1-methyl-2-propyl?
You can request a quote for 1H-Pyrrole, 1-methyl-2-propyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 1-methyl-2-propyl?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 1-methyl-2-propyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.