4-methyl-1H-pyrrole-3-carbonitrile
TL;DR: 4-methyl-1H-pyrrole-3-carbonitrile (CAS 40167-38-2) is a chemical compound with molecular formula C6H6N2 and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1H-pyrrole-3-carbonitrile
Also Known As: 4-methyl-1H-pyrrole-3-carbonitrile, 4-Methyl-3-pyrrolecarbonitrile, 1H-Pyrrole-3-carbonitrile, 4-methyl-, 3-cyano-4-methyl-1H-pyrrole, 840-083-8
| Molecular Formula | C6H6N2 |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 1.1948 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.0531 |
| Heavy Atoms | 8 |
| Complexity | 216.67757 |
Chemical Identifiers
| CAS Number | 40167-38-2 |
|---|---|
| SMILES | CC1=CNC=C1C#N |
Product Overview
4-methyl-1H-pyrrole-3-carbonitrile (CAS 40167-38-2), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: 4-methyl-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of 4-methyl-1H-pyrrole-3-carbonitrile
Property Insights of 4-methyl-1H-pyrrole-3-carbonitrile
The XLogP value of 1.1948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-1H-pyrrole-3-carbonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 4-methyl-1H-pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-1H-pyrrole-3-carbonitrile has 1 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 4-methyl-1H-pyrrole-3-carbonitrile?
The CAS number of 4-methyl-1H-pyrrole-3-carbonitrile is 40167-38-2.
What is the molecular formula of 4-methyl-1H-pyrrole-3-carbonitrile?
The molecular formula of 4-methyl-1H-pyrrole-3-carbonitrile is C6H6N2.
What is the molecular weight of 4-methyl-1H-pyrrole-3-carbonitrile?
The molecular weight of 4-methyl-1H-pyrrole-3-carbonitrile is 106.05 g/mol.
Where can I buy 4-methyl-1H-pyrrole-3-carbonitrile?
You can request a quote for 4-methyl-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.