2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide
TL;DR: 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide (CAS 416887-72-4) is a chemical compound with molecular formula C24H18FN3O2 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide
Also Known As: alpha-Acetyl-beta-(dicyanomethyl)-N-(4-fluorophenyl)-2-naphthalenepropanamide, 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide, 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-(2-naphthyl)butanamide, 2-ACETYL-4,4-DICYANO-N-(4-FLUOROPHENYL)-3-(NAPHTHALEN-2-YL)BUTANAMIDE, I+/--Acetyl-I(2)-(dicyanomethyl)-N-(4-fluorophenyl)-2-naphthalenepropanamide
| Molecular Formula | C24H18FN3O2 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 4.56976 |
| Topological Polar Surface Area | 93.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1383 |
| Heavy Atoms | 30 |
| Complexity | 1161.5156 |
Chemical Identifiers
| CAS Number | 416887-72-4 |
|---|---|
| SMILES | CC(=O)C(C(C1=CC2=CC=CC=C2C=C1)C(C#N)C#N)C(=O)NC3=CC=C(C=C3)F |
Product Overview
2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide (CAS 416887-72-4), with molecular formula C24H18FN3O2 and molecular weight 399.14 g/mol. IUPAC: 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide.
Chemical Property Profile of 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide
Property Insights of 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide
The XLogP value of 4.56976 indicates that 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide. Following Lipinski's Rule of Five, 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide has 1 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 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide?
The CAS number of 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide is 416887-72-4.
What is the molecular formula of 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide?
The molecular formula of 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide is C24H18FN3O2.
What is the molecular weight of 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide?
The molecular weight of 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide is 399.14 g/mol.
Where can I buy 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide?
You can request a quote for 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-naphthalen-2-ylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.