Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester
TL;DR: Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester (CAS 131028-34-7) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]benzoate
Also Known As: methyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]benzoate, Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester, Methyl 3-(2-(4-benzyl-1-piperazinyl)ethyl)benzoate, Methyl 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)benzoate, methyl 3-[2-(4-benzyl-1-piperazinyl)ethyl]benzoate
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 2.8335 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 679.30524 |
Chemical Identifiers
| CAS Number | 131028-34-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CCN2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester (CAS 131028-34-7), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: methyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]benzoate.
Chemical Property Profile of Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester
Property Insights of Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester
The XLogP value of 2.8335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester. With a topological polar surface area (TPSA) of 32.78 Ų, Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester has 0 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 Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester?
The CAS number of Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester is 131028-34-7.
What is the molecular formula of Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester?
The molecular formula of Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester is C21H26N2O2.
What is the molecular weight of Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester?
The molecular weight of Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester is 338.20 g/mol.
Where can I buy Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester?
You can request a quote for Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, 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, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.