![3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile structure](/static/products/2513/251310-74-4.webp)
3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile
TL;DR: 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile (CAS 251310-74-4) is a chemical compound with molecular formula C17H14FN3O2 and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-(methoxyiminomethyl)prop-2-enenitrile
Also Known As: 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile, 3-[4-(4-fluorobenzoyl)-1-methyl-pyrrol-2-yl]-2-(methoxyiminomethyl)prop-2-enenitrile, 3-[4-(4-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-(methoxyiminomethyl)prop-2-enenitrile
| Molecular Formula | C17H14FN3O2 |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 2.93438 |
| Topological Polar Surface Area | 67.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.107 |
| Heavy Atoms | 23 |
| Complexity | 811.3543 |
Chemical Identifiers
| CAS Number | 251310-74-4 |
|---|---|
| SMILES | CN1C=C(C=C1C=C(C=NOC)C#N)C(=O)C2=CC=C(C=C2)F |
Product Overview
3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile (CAS 251310-74-4), with molecular formula C17H14FN3O2 and molecular weight 311.11 g/mol. IUPAC: 3-[4-(4-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-(methoxyiminomethyl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile
Property Insights of 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile
The XLogP value of 2.93438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile. The TPSA of 67.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile. Following Lipinski's Rule of Five, 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile 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 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile?
The CAS number of 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile is 251310-74-4.
What is the molecular formula of 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile?
The molecular formula of 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile is C17H14FN3O2.
What is the molecular weight of 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile?
The molecular weight of 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile is 311.11 g/mol.
Where can I buy 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile?
You can request a quote for 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[(methoxyimino)methyl]acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.