1-甲基-1H-吡咯-2-乙腈
TL;DR: 1-甲基-1H-吡咯-2-乙腈 (CAS 24437-41-0) is a chemical compound with molecular formula C7H8N2 and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-1H-吡咯-2-乙腈
2-(1-methylpyrrol-2-yl)acetonitrile
Also Known As: N-Methylpyrrole-2-acetonitrile, fipronil-sulfide, 1-Methyl-2-pyrroleacetonitrile, 1H-Pyrrole-2-acetonitrile, 1-methyl-, 2-(1-methyl-1H-pyrrol-2-yl)acetonitrile
| Molecular Formula | C7H8N2 |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.06875 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 24437-41-0 |
|---|---|
| SMILES | CN1C=CC=C1CC#N |
| InChIKey | ROSYAUHHRKAPHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基-1H-吡咯-2-乙腈 (CAS 24437-41-0), with molecular formula C7H8N2 and molecular weight 120.07 g/mol. IUPAC: 2-(1-methylpyrrol-2-yl)acetonitrile.
Chemical Property Profile of 1-甲基-1H-吡咯-2-乙腈
Property Insights of 1-甲基-1H-吡咯-2-乙腈
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基-1H-吡咯-2-乙腈. With a topological polar surface area (TPSA) of 28.7 Ų, 1-甲基-1H-吡咯-2-乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基-1H-吡咯-2-乙腈 has 0 hydrogen bond donor(s) and 1 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-甲基-1H-吡咯-2-乙腈?
The CAS number of 1-甲基-1H-吡咯-2-乙腈 is 24437-41-0.
What is the molecular formula of 1-甲基-1H-吡咯-2-乙腈?
The molecular formula of 1-甲基-1H-吡咯-2-乙腈 is C7H8N2.
What is the molecular weight of 1-甲基-1H-吡咯-2-乙腈?
The molecular weight of 1-甲基-1H-吡咯-2-乙腈 is 120.07 g/mol.
Where can I buy 1-甲基-1H-吡咯-2-乙腈?
You can request a quote for 1-甲基-1H-吡咯-2-乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-1H-吡咯-2-乙腈?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-1H-吡咯-2-乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.