![Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate structure](/static/products/5281/5281-48-1.webp)
Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
TL;DR: Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate (CAS 5281-48-1) is a chemical compound with molecular formula C17H24FN3O3 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
Also Known As: Methyl N-[4-(4-fluorophenyl)piperazine-1-carbonyl]valinate, methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
| Molecular Formula | C17H24FN3O3 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 1.8549 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.18018 |
| Heavy Atoms | 24 |
| Complexity | 568.9484 |
Chemical Identifiers
| CAS Number | 5281-48-1 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F |
Product Overview
Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate (CAS 5281-48-1), with molecular formula C17H24FN3O3 and molecular weight 337.18 g/mol. IUPAC: methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate.
Chemical Property Profile of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
Property Insights of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
The XLogP value of 1.8549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate. Following Lipinski's Rule of Five, Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate 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 Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate?
The CAS number of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate is 5281-48-1.
What is the molecular formula of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate?
The molecular formula of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate is C17H24FN3O3.
What is the molecular weight of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate?
The molecular weight of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate is 337.18 g/mol.
Where can I buy Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate?
You can request a quote for Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.