2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile
TL;DR: 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile (CAS 400076-77-9) is a chemical compound with molecular formula C16H11FN4 and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyano-3-fluorophenyl)-2-(1-methylpyrrol-2-yl)butanedinitrile
Also Known As: 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile, 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)butanedinitrile, 2-(2-cyano-3-fluorophenyl)-2-(1-methylpyrrol-2-yl)butanedinitrile, 2-(2-cyano-3-fluoro-phenyl)-2-(1-methylpyrrol-2-yl)butanedinitrile
| Molecular Formula | C16H11FN4 |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 2.75924 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.09677 |
| Heavy Atoms | 21 |
| Complexity | 800.9052 |
Chemical Identifiers
| CAS Number | 400076-77-9 |
|---|---|
| SMILES | CN1C=CC=C1C(CC#N)(C#N)C2=C(C(=CC=C2)F)C#N |
Product Overview
2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile (CAS 400076-77-9), with molecular formula C16H11FN4 and molecular weight 278.10 g/mol. IUPAC: 2-(2-cyano-3-fluorophenyl)-2-(1-methylpyrrol-2-yl)butanedinitrile.
Chemical Property Profile of 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile
Property Insights of 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile
The XLogP value of 2.75924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile. Following Lipinski's Rule of Five, 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile has 0 hydrogen bond donor(s) and 3 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-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile?
The CAS number of 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile is 400076-77-9.
What is the molecular formula of 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile?
The molecular formula of 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile is C16H11FN4.
What is the molecular weight of 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile?
The molecular weight of 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile is 278.10 g/mol.
Where can I buy 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile?
You can request a quote for 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.