2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile
TL;DR: 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile (CAS 847337-59-1) is a chemical compound with molecular formula C16H13N3 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-methyl-5-(4-methylphenyl)pyrrol-2-yl]methylidene]propanedinitrile
Also Known As: 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile, 2-{[1-methyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile, AB01324659-02, F1576-0056, 2-[[1-methyl-5-(4-methylphenyl)pyrrol-2-yl]methylidene]propanedinitrile
| Molecular Formula | C16H13N3 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 3.43108 |
| Topological Polar Surface Area | 52.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.11095 |
| Heavy Atoms | 19 |
| Complexity | 687.9328 |
Chemical Identifiers
| CAS Number | 847337-59-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=C(N2C)C=C(C#N)C#N |
Product Overview
2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile (CAS 847337-59-1), with molecular formula C16H13N3 and molecular weight 247.11 g/mol. IUPAC: 2-[[1-methyl-5-(4-methylphenyl)pyrrol-2-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile
Property Insights of 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile
The XLogP value of 3.43108 indicates that 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.51 Ų, 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile has 0 hydrogen bond donor(s) and 2 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-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile?
The CAS number of 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile is 847337-59-1.
What is the molecular formula of 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile?
The molecular formula of 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile is C16H13N3.
What is the molecular weight of 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile?
The molecular weight of 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile is 247.11 g/mol.
Where can I buy 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile?
You can request a quote for 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.