![2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile structure](/static/products/7715/771567-64-7.webp)
2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile
TL;DR: 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile (CAS 771567-64-7) 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-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methylidene]propanedinitrile
Also Known As: 2-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzylidene)malononitrile, 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile, 9516AE, dimethylpyrrolylphenylmethylenemalononitrile, 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methylidene]propanedinitrile
| Molecular Formula | C16H13N3 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 3.5247 |
| 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 | 668.4328 |
Chemical Identifiers
| CAS Number | 771567-64-7 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C=C(C#N)C#N)C |
Product Overview
2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile (CAS 771567-64-7), with molecular formula C16H13N3 and molecular weight 247.11 g/mol. IUPAC: 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile
Property Insights of 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile
The XLogP value of 3.5247 indicates that 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-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-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-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-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile?
The CAS number of 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile is 771567-64-7.
What is the molecular formula of 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile?
The molecular formula of 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile is C16H13N3.
What is the molecular weight of 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile?
The molecular weight of 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile is 247.11 g/mol.
Where can I buy 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile?
You can request a quote for 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-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-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.