1-Methylpyrrole
TL;DR: 1-Methylpyrrole (CAS 96-54-8) is a chemical compound with molecular formula C5H7N and molecular weight 81.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyrrole
Also Known As: 1-Methylpyrrole, 1-Methyl-1H-pyrrole, N-METHYLPYRROLE, N-Methyl pyrrole, Pyrrole, 1-methyl-
| Molecular Formula | C5H7N |
|---|---|
| Molecular Weight | 81.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 81.057846 |
| Heavy Atoms | 6 |
| Complexity | 37.0 |
| Melting Point | -57.00 °C. @ 760.00 mm Hg |
| Boiling Point | The Guide in the Emergency Response Guidebook is for "Flammable liquid, n.o.s." 112-113 °C |
| Density | 0.9145 @ 15°C |
| Flash Point | 16 °C |
| Vapor Pressure | 21.4 [mmHg] |
Chemical Identifiers
| CAS Number | 96-54-8 |
|---|---|
| SMILES | CN1C=CC=C1 |
| InChIKey | OXHNLMTVIGZXSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylpyrrole (CAS 96-54-8), with molecular formula C5H7N and molecular weight 81.06 g/mol. IUPAC: 1-methylpyrrole.
Chemical Property Profile of 1-Methylpyrrole
Property Insights of 1-Methylpyrrole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpyrrole. With a topological polar surface area (TPSA) of 4.9 Ų, 1-Methylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpyrrole 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-Methylpyrrole?
The CAS number of 1-Methylpyrrole is 96-54-8.
What is the molecular formula of 1-Methylpyrrole?
The molecular formula of 1-Methylpyrrole is C5H7N.
What is the molecular weight of 1-Methylpyrrole?
The molecular weight of 1-Methylpyrrole is 81.06 g/mol.
Where can I buy 1-Methylpyrrole?
You can request a quote for 1-Methylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.