![Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester structure](/static/products/330/330556-70-2.png)
Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester
TL;DR: Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester (CAS 330556-70-2) is a chemical compound with molecular formula C21H25N3O3 and molecular weight 367.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-phenylpiperazin-1-yl)propanoylamino]benzoate
Also Known As: methyl 4-[3-(4-phenylpiperazinyl)propanoylamino]benzoate, A0305/0013947, methyl 4-(3-(4-phenylpiperazin-1-yl)propanamido)benzoate, methyl 4-[3-(4-phenylpiperazin-1-yl)propanoylamino]benzoate, methyl 4-{[3-(4-phenylpiperazin-1-yl)propanoyl]amino}benzoate
| Molecular Formula | C21H25N3O3 |
|---|---|
| Molecular Weight | 367.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.1896 |
| Heavy Atoms | 27 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 330556-70-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3 |
| InChIKey | NZSVTFGDGVTNKF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester (CAS 330556-70-2), with molecular formula C21H25N3O3 and molecular weight 367.19 g/mol. IUPAC: methyl 4-[3-(4-phenylpiperazin-1-yl)propanoylamino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester
Property Insights of Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester 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 Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester?
The CAS number of Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester is 330556-70-2.
What is the molecular formula of Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester?
The molecular formula of Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester is C21H25N3O3.
What is the molecular weight of Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester?
The molecular weight of Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester is 367.19 g/mol.
Where can I buy Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester?
You can request a quote for Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.