![2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile structure](/static/products/4390/439094-32-3.webp)
2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile
TL;DR: 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile (CAS 439094-32-3) is a chemical compound with molecular formula C14H8BrN3 and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(4-bromophenyl)pyrrol-3-yl]methylidene]propanedinitrile
Also Known As: 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile, 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylidene}propanedinitrile, 2-[[1-(4-bromophenyl)pyrrol-3-yl]methylidene]propanedinitrile, 11R-0643, 2-[[1-(4-bromophenyl)pyrrol-3-yl]methylene]propanedinitrile
| Molecular Formula | C14H8BrN3 |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 3.67036 |
| Topological Polar Surface Area | 52.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.99017 |
| Heavy Atoms | 18 |
| Complexity | 650.30005 |
Chemical Identifiers
| CAS Number | 439094-32-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=CC(=C2)C=C(C#N)C#N)Br |
Product Overview
2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile (CAS 439094-32-3), with molecular formula C14H8BrN3 and molecular weight 296.99 g/mol. IUPAC: 2-[[1-(4-bromophenyl)pyrrol-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile
Property Insights of 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile
The XLogP value of 3.67036 indicates that 2-{[1-(4-bromophenyl)-1H-pyrrol-3-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-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[1-(4-bromophenyl)-1H-pyrrol-3-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-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile?
The CAS number of 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile is 439094-32-3.
What is the molecular formula of 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile?
The molecular formula of 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile is C14H8BrN3.
What is the molecular weight of 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile?
The molecular weight of 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile is 296.99 g/mol.
Where can I buy 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile?
You can request a quote for 2-{[1-(4-bromophenyl)-1H-pyrrol-3-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-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.