1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid
TL;DR: 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid (CAS 94856-91-4) is a chemical compound with molecular formula C13H13ClN2O5 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)piperazine-2,3-dicarboxylic acid
Also Known As: Pcb-pzda, 1-Cbpd, 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid, 1-(4-chlorobenzoyl)-piperazine-2,3-dicarboxylic acid, 2,3-Piperazinedicarboxylicacid, 1-(4-chlorobenzoyl)-
| Molecular Formula | C13H13ClN2O5 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0513 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 94856-91-4 |
|---|---|
| SMILES | C1CN(C(C(N1)C(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | YWCVPDCUINPDGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid (CAS 94856-91-4), with molecular formula C13H13ClN2O5 and molecular weight 312.05 g/mol. IUPAC: 1-(4-chlorobenzoyl)piperazine-2,3-dicarboxylic acid.
Chemical Property Profile of 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid
Property Insights of 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid
The XLogP value of -1.7 indicates that 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid. Following Lipinski's Rule of Five, 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid has 3 hydrogen bond donor(s) and 6 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 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid?
The CAS number of 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid is 94856-91-4.
What is the molecular formula of 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid?
The molecular formula of 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid is C13H13ClN2O5.
What is the molecular weight of 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid?
The molecular weight of 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid is 312.05 g/mol.
Where can I buy 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid?
You can request a quote for 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzoyl)piperazine-2,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.