4-(Dichloroacetyl)-1-piperazinecarboxaldehyde
TL;DR: 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde (CAS 77368-16-2) is a chemical compound with molecular formula C7H10Cl2N2O2 and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dichloroacetyl)piperazine-1-carbaldehyde
Also Known As: 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde, 4-(2,2-dichloroacetyl)piperazine-1-carbaldehyde, CDRI 84/35, CDRI-84/35, 1-Piperazinecarboxaldehyde, 4-(dichloroacetyl)-
| Molecular Formula | C7H10Cl2N2O2 |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.01193 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 77368-16-2 |
|---|---|
| SMILES | C1CN(CCN1C=O)C(=O)C(Cl)Cl |
| InChIKey | RZVIXHNWFHNVDI-UHFFFAOYSA-N |
Product Overview
4-(Dichloroacetyl)-1-piperazinecarboxaldehyde (CAS 77368-16-2), with molecular formula C7H10Cl2N2O2 and molecular weight 224.01 g/mol. IUPAC: 4-(2,2-dichloroacetyl)piperazine-1-carbaldehyde.
Chemical Property Profile of 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde
Property Insights of 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde. With a topological polar surface area (TPSA) of 40.6 Ų, 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde has 0 hydrogen bond donor(s) and 2 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-(Dichloroacetyl)-1-piperazinecarboxaldehyde?
The CAS number of 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde is 77368-16-2.
What is the molecular formula of 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde?
The molecular formula of 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde is C7H10Cl2N2O2.
What is the molecular weight of 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde?
The molecular weight of 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde is 224.01 g/mol.
Where can I buy 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde?
You can request a quote for 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.