![N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine structure](/static/products/5283/5283-16-9.webp)
N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine
TL;DR: N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine (CAS 5283-16-9) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine, 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenylpropanoic acid, 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoic Acid
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 1.9384 |
| Topological Polar Surface Area | 91.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 896.90094 |
Chemical Identifiers
| CAS Number | 5283-16-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)O |
Product Overview
N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine (CAS 5283-16-9), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine
Property Insights of N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine
The XLogP value of 1.9384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine. The TPSA of 91.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine. Following Lipinski's Rule of Five, N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine has 2 hydrogen bond donor(s) and 5 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 N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine?
The CAS number of N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine is 5283-16-9.
What is the molecular formula of N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine?
The molecular formula of N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine is C22H25N3O5.
What is the molecular weight of N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine?
The molecular weight of N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine is 411.18 g/mol.
Where can I buy N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine?
You can request a quote for N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.