4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde
TL;DR: 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde (CAS 425686-02-8) is a chemical compound with molecular formula C12H12ClN3O4 and molecular weight 297.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde
Also Known As: 4-(4-chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde, AB00107555-01, 4-[(4-chloro-3-nitrophenyl)carbonyl]piperazine-1-carbaldehyde
| Molecular Formula | C12H12ClN3O4 |
|---|---|
| Molecular Weight | 297.05 g/mol |
| LogP | 1.1624 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.05164 |
| Heavy Atoms | 20 |
| Complexity | 555.6335 |
Chemical Identifiers
| CAS Number | 425686-02-8 |
|---|---|
| SMILES | C1CN(CCN1C=O)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde (CAS 425686-02-8), with molecular formula C12H12ClN3O4 and molecular weight 297.05 g/mol. IUPAC: 4-(4-chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde.
Chemical Property Profile of 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde
Property Insights of 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde
The XLogP value of 1.1624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde. Following Lipinski's Rule of Five, 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde 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
Frequently Asked Questions
What is the CAS number of 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde?
The CAS number of 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde is 425686-02-8.
What is the molecular formula of 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde?
The molecular formula of 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde is C12H12ClN3O4.
What is the molecular weight of 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde?
The molecular weight of 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde is 297.05 g/mol.
Where can I buy 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde?
You can request a quote for 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-3-nitrobenzoyl)piperazine-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.