4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid
TL;DR: 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid (CAS 478246-54-7) is a chemical compound with molecular formula C24H23N3O4 and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzhydrylpiperazin-1-yl)-3-nitrobenzoic acid
Also Known As: 4-(4-benzhydrylpiperazin-1-yl)-3-nitrobenzoic acid, 4-(4-benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid, 4-[4-(diphenylmethyl)piperazin-1-yl]-3-nitrobenzoic acid, 4-(4-benzhydrylpiperazin-1-yl)-3-nitro-benzoic Acid, 4-[4-(diphenylmethyl)piperazin-1-yl]-3-nitrobenzoicacid
| Molecular Formula | C24H23N3O4 |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 4.2046 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.16885 |
| Heavy Atoms | 31 |
| Complexity | 1025.1973 |
Chemical Identifiers
| CAS Number | 478246-54-7 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid (CAS 478246-54-7), with molecular formula C24H23N3O4 and molecular weight 417.17 g/mol. IUPAC: 4-(4-benzhydrylpiperazin-1-yl)-3-nitrobenzoic acid.
Chemical Property Profile of 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid
Property Insights of 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid
The XLogP value of 4.2046 indicates that 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid. Following Lipinski's Rule of Five, 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic 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 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid?
The CAS number of 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid is 478246-54-7.
What is the molecular formula of 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid?
The molecular formula of 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid is C24H23N3O4.
What is the molecular weight of 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid?
The molecular weight of 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid is 417.17 g/mol.
Where can I buy 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid?
You can request a quote for 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic 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-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Benzhydrylpiperazino)-3-nitrobenzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.