1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine
TL;DR: 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine (CAS 331652-61-0) is a chemical compound with molecular formula C12H16ClN3O2 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2-nitrophenyl)-3,5-dimethylpiperazine
Also Known As: 1-(4-chloro-2-nitrophenyl)-3,5-dimethylpiperazine, BAS 00253726, AB00074322-01, 1-(4-Chloro-2-nitro-phenyl)-3,5-dimethyl-piperazine
| Molecular Formula | C12H16ClN3O2 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 2.4348 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0931 |
| Heavy Atoms | 18 |
| Complexity | 456.63577 |
Chemical Identifiers
| CAS Number | 331652-61-0 |
|---|---|
| SMILES | CC1CN(CC(N1)C)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine (CAS 331652-61-0), with molecular formula C12H16ClN3O2 and molecular weight 269.09 g/mol. IUPAC: 1-(4-chloro-2-nitrophenyl)-3,5-dimethylpiperazine.
Chemical Property Profile of 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine
Property Insights of 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine
The XLogP value of 2.4348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine. With a topological polar surface area (TPSA) of 58.41 Ų, 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine has 1 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 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine?
The CAS number of 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine is 331652-61-0.
What is the molecular formula of 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine?
The molecular formula of 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine is C12H16ClN3O2.
What is the molecular weight of 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine?
The molecular weight of 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine is 269.09 g/mol.
Where can I buy 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine?
You can request a quote for 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-2-nitrophenyl)-3,5-dimethylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.