![{[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile structure](/static/products/847/847855-16-7.png)
{[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
TL;DR: {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile (CAS 847855-16-7) is a chemical compound with molecular formula C15H10N4O2 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-methyl-5-(3-nitrophenyl)pyrrol-2-yl]methylidene]propanedinitrile
Also Known As: {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile, 2-((1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl)methylene)malononitrile, 2-[[1-methyl-5-(3-nitrophenyl)pyrrol-2-yl]methylidene]propanedinitrile
| Molecular Formula | C15H10N4O2 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 3.03086 |
| Topological Polar Surface Area | 95.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.08038 |
| Heavy Atoms | 21 |
| Complexity | 802.9296 |
Chemical Identifiers
| CAS Number | 847855-16-7 |
|---|---|
| SMILES | CN1C(=CC=C1C2=CC(=CC=C2)[N+](=O)[O-])C=C(C#N)C#N |
Product Overview
{[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile (CAS 847855-16-7), with molecular formula C15H10N4O2 and molecular weight 278.08 g/mol. IUPAC: 2-[[1-methyl-5-(3-nitrophenyl)pyrrol-2-yl]methylidene]propanedinitrile.
Chemical Property Profile of {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
Property Insights of {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
The XLogP value of 3.03086 indicates that {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.65 Ų falls within the moderate polarity range, balancing permeability and solubility for {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile. Following Lipinski's Rule of Five, {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile has 0 hydrogen bond donor(s) and 4 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 {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile?
The CAS number of {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile is 847855-16-7.
What is the molecular formula of {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile?
The molecular formula of {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile is C15H10N4O2.
What is the molecular weight of {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile?
The molecular weight of {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile is 278.08 g/mol.
Where can I buy {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile?
You can request a quote for {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for {[1-methyl-5-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.