2-甲基吡咯
TL;DR: 2-甲基吡咯 (CAS 636-41-9) 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.
2-甲基吡咯
2-methyl-1H-pyrrole
Also Known As: 2-Methyl-1H-pyrrole, 2-METHYLPYRROLE, alpha-Methylpyrrole, Pyrrole, 2-methyl-, 1H-Pyrrole, 2-methyl-
| Molecular Formula | C5H7N |
|---|---|
| Molecular Weight | 81.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 81.057846 |
| Heavy Atoms | 6 |
| Complexity | 43.0 |
| Melting Point | -35.6 °C |
Chemical Identifiers
| CAS Number | 636-41-9 |
|---|---|
| SMILES | CC1=CC=CN1 |
| InChIKey | TVCXVUHHCUYLGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基吡咯 (CAS 636-41-9), with molecular formula C5H7N and molecular weight 81.06 g/mol. IUPAC: 2-methyl-1H-pyrrole.
Chemical Property Profile of 2-甲基吡咯
Property Insights of 2-甲基吡咯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基吡咯. With a topological polar surface area (TPSA) of 15.8 Ų, 2-甲基吡咯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基吡咯 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-甲基吡咯?
The CAS number of 2-甲基吡咯 is 636-41-9.
What is the molecular formula of 2-甲基吡咯?
The molecular formula of 2-甲基吡咯 is C5H7N.
What is the molecular weight of 2-甲基吡咯?
The molecular weight of 2-甲基吡咯 is 81.06 g/mol.
Where can I buy 2-甲基吡咯?
You can request a quote for 2-甲基吡咯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基吡咯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基吡咯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.