![4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid structure](/static/products/3152/315216-55-8.webp)
4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid
TL;DR: 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid (CAS 315216-55-8) is a chemical compound with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzoic acid
Also Known As: BAS 01809358, 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid, (E)-4-(((4-phenylpiperazin-1-yl)imino)methyl)benzoic acid, 4-[(1E)-2-(4-phenylpiperazinyl)-2-azavinyl]benzoic acid, 4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzoic acid
| Molecular Formula | C18H19N3O2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 2.5409 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.14774 |
| Heavy Atoms | 23 |
| Complexity | 675.1727 |
Chemical Identifiers
| CAS Number | 315216-55-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)/N=C/C3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid (CAS 315216-55-8), with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol. IUPAC: 4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzoic acid.
Chemical Property Profile of 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid
Property Insights of 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid
The XLogP value of 2.5409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid. With a topological polar surface area (TPSA) of 56.14 Ų, 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid has 1 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 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid?
The CAS number of 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid is 315216-55-8.
What is the molecular formula of 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid?
The molecular formula of 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid is C18H19N3O2.
What is the molecular weight of 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid?
The molecular weight of 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid is 309.15 g/mol.
Where can I buy 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid?
You can request a quote for 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Phenyl-piperazin-1-ylimino)-methyl]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.