![Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate structure](/static/products/330/330556-86-0.png)
Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate
TL;DR: Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate (CAS 330556-86-0) is a chemical compound with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-benzylpiperazin-1-yl)propanoylamino]benzoate
Also Known As: BAS 01508468, methyl 4-[3-(4-benzylpiperazin-1-yl)propanoylamino]benzoate, 4-[3-(4-Benzyl-piperazin-1-yl)-propionylamino]-benzoic acid methyl ester, methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate, methyl 4-{3-[4-benzylpiperazinyl]propanoylamino}benzoate
| Molecular Formula | C22H27N3O3 |
|---|---|
| Molecular Weight | 381.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.20523 |
| Heavy Atoms | 28 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 330556-86-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 |
| InChIKey | NUEJFDWDVOUORI-UHFFFAOYSA-N |
Product Overview
Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate (CAS 330556-86-0), with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol. IUPAC: methyl 4-[3-(4-benzylpiperazin-1-yl)propanoylamino]benzoate.
Chemical Property Profile of Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate
Property Insights of Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate has 1 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 Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate?
The CAS number of Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate is 330556-86-0.
What is the molecular formula of Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate?
The molecular formula of Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate is C22H27N3O3.
What is the molecular weight of Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate?
The molecular weight of Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate is 381.21 g/mol.
Where can I buy Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate?
You can request a quote for Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.