2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
TL;DR: 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 340818-16-8) is a chemical compound with molecular formula C11H8FN3O and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(4-fluorophenyl)-2-oxo-3H-pyrrole-4-carbonitrile
Also Known As: 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile, BAS 07415973, J1.589.948D, AM-807/12739080, A3741/0158538
| Molecular Formula | C11H8FN3O |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.25628 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.06514 |
| Heavy Atoms | 16 |
| Complexity | 513.02637 |
Chemical Identifiers
| CAS Number | 340818-16-8 |
|---|---|
| SMILES | C1C(=C(N(C1=O)C2=CC=C(C=C2)F)N)C#N |
Product Overview
2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 340818-16-8), with molecular formula C11H8FN3O and molecular weight 217.07 g/mol. IUPAC: 5-amino-1-(4-fluorophenyl)-2-oxo-3H-pyrrole-4-carbonitrile.
Chemical Property Profile of 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
Property Insights of 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
The XLogP value of 1.25628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile has 1 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-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The CAS number of 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile is 340818-16-8.
What is the molecular formula of 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular formula of 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile is C11H8FN3O.
What is the molecular weight of 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular weight of 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile is 217.07 g/mol.
Where can I buy 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
You can request a quote for 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.