Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester
TL;DR: Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester (CAS 144055-26-5) is a chemical compound with molecular formula C20H24N2O2 and molecular weight 324.18378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-benzylpiperazin-1-yl)methyl]benzoate
Also Known As: Methyl 2-((4-(phenylmethyl)-1-piperazinyl)methyl)benzoate, Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester, methyl 2-[(4-benzylpiperazin-1-yl)methyl]benzoate
Technical Specifications
| Molecular Formula | C20H24N2O2 |
| Molecular Weight | 324.18378 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.18378 Da |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
| SMILES | COC(=O)C1=CC=CC=C1CN2CCN(CC2)CC3=CC=CC=C3 |
| InChIKey | MYPGWNLQXWVQBW-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester
Property Insights of Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester. With a topological polar surface area (TPSA) of 32.8 Ų, Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, 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
What is the CAS number of Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester?
The CAS number of Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester is 144055-26-5.
What is the molecular formula of Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester?
The molecular formula of Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester is C20H24N2O2.
What is the molecular weight of Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester?
The molecular weight of Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester is 324.18378 g/mol.
Where can I buy Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester?
You can request a quote for Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.