![3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate structure](/static/products/875/875178-44-2.png)
3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate
TL;DR: 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate (CAS 875178-44-2) is a chemical compound with molecular formula C19H20FNO3 and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 4-(2-fluoroanilino)-4-oxobutanoate
Also Known As: 3-phenylpropyl 4-(2-fluoroanilino)-4-oxobutanoate, 3-phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate, 3-phenylpropyl 3-[(2-fluorophenyl)carbamoyl]propanoate, 3-phenylpropyl 3-[N-(2-fluorophenyl)carbamoyl]propanoate
| Molecular Formula | C19H20FNO3 |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 3.7204 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.14273 |
| Heavy Atoms | 24 |
| Complexity | 673.32196 |
Chemical Identifiers
| CAS Number | 875178-44-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC=CC=C2F |
Product Overview
3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate (CAS 875178-44-2), with molecular formula C19H20FNO3 and molecular weight 329.14 g/mol. IUPAC: 3-phenylpropyl 4-(2-fluoroanilino)-4-oxobutanoate.
Chemical Property Profile of 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate
Property Insights of 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate
The XLogP value of 3.7204 indicates that 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate 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 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate?
The CAS number of 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate is 875178-44-2.
What is the molecular formula of 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate?
The molecular formula of 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate is C19H20FNO3.
What is the molecular weight of 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate?
The molecular weight of 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate is 329.14 g/mol.
Where can I buy 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate?
You can request a quote for 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl 4-[(2-fluorophenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.