![2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid structure](/static/products/3031/303102-26-3.webp)
2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid
TL;DR: 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid (CAS 303102-26-3) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid
Also Known As: BAS 01809712, 2-(((4-(4-METHYLBENZYL)-1-PIPERAZINYL)IMINO)METHYL)BENZOIC ACID, 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 303102-26-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=CC=C3C(=O)O |
| InChIKey | NAZNHYNGBYEIET-UHFFFAOYSA-N |
Product Overview
2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid (CAS 303102-26-3), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid.
Chemical Property Profile of 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid
Property Insights of 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid. With a topological polar surface area (TPSA) of 56.1 Ų, 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid 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 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid?
The CAS number of 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid is 303102-26-3.
What is the molecular formula of 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid?
The molecular formula of 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid is C20H23N3O2.
What is the molecular weight of 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid?
The molecular weight of 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid is 337.18 g/mol.
Where can I buy 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid?
You can request a quote for 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[(4-Methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.