5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile
TL;DR: 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile (CAS 889997-40-4) is a chemical compound with molecular formula C13H10FN3O and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile
Also Known As: 5-acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile, 5-acetyl-4-amino-1-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile, N/A
| Molecular Formula | C13H10FN3O |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 2.27288 |
| Topological Polar Surface Area | 71.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.0808 |
| Heavy Atoms | 18 |
| Complexity | 650.11127 |
Chemical Identifiers
| CAS Number | 889997-40-4 |
|---|---|
| SMILES | CC(=O)C1=C(C(=CN1C2=CC=C(C=C2)F)C#N)N |
Product Overview
5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile (CAS 889997-40-4), with molecular formula C13H10FN3O and molecular weight 243.08 g/mol. IUPAC: 5-acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile
Property Insights of 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile
The XLogP value of 2.27288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile. The TPSA of 71.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 5-Acetyl-4-amino-1-(4-fluorophenyl)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 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile?
The CAS number of 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile is 889997-40-4.
What is the molecular formula of 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile?
The molecular formula of 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile is C13H10FN3O.
What is the molecular weight of 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile?
The molecular weight of 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile is 243.08 g/mol.
Where can I buy 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile?
You can request a quote for 5-Acetyl-4-amino-1-(4-fluorophenyl)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 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-4-amino-1-(4-fluorophenyl)pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.