![[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile structure](/static/products/4278/42780-50-7.webp)
[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile
TL;DR: [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile (CAS 42780-50-7) is a chemical compound with molecular formula C15H16N2 and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile
Also Known As: [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile|2-(2,5-Dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)acetonitrile|2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile|SR-01000074003-1|2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile|2,5-DIMETHYL-1-(4-METHYLPHENYL)-1H-PYRROL-3-YL]ACETONITRILE
| Molecular Formula | C15H16N2 |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 3.46864 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.13135 |
| Heavy Atoms | 17 |
| Complexity | 568.20465 |
Chemical Identifiers
| CAS Number | 42780-50-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)CC#N)C |
Product Overview
[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile (CAS 42780-50-7), with molecular formula C15H16N2 and molecular weight 224.13 g/mol. IUPAC: 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile.
Chemical Property Profile of [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile
Property Insights of [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile
The XLogP value of 3.46864 indicates that [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.72 Ų, [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile 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 [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile?
The CAS number of [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile is 42780-50-7.
What is the molecular formula of [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile?
The molecular formula of [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile is C15H16N2.
What is the molecular weight of [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile?
The molecular weight of [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile is 224.13 g/mol.
Where can I buy [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile?
You can request a quote for [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.