![2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone structure](/static/products/7736/77367-94-3.webp)
2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
TL;DR: 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone (CAS 77367-94-3) is a chemical compound with molecular formula C12H13Cl2N3O3 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Also Known As: 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone, Piperazine, 1-(dichloroacetyl)-4-(4-nitrophenyl)-, 1-(4-nitrophenyl)-4-dichloroacetyl-piperazine, 1-(dichloroacetyl)-4-(4-nitrophenyl)piperazine, 2,2-dichloro-1-[4-(4-nitrophenyl)piperazinyl]ethan-1-one
| Molecular Formula | C12H13Cl2N3O3 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 2.0471 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0334 |
| Heavy Atoms | 20 |
| Complexity | 499.17395 |
Chemical Identifiers
| CAS Number | 77367-94-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(Cl)Cl |
Product Overview
2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone (CAS 77367-94-3), with molecular formula C12H13Cl2N3O3 and molecular weight 317.03 g/mol. IUPAC: 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone.
Chemical Property Profile of 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Property Insights of 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
The XLogP value of 2.0471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone 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 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
The CAS number of 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone is 77367-94-3.
What is the molecular formula of 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
The molecular formula of 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone is C12H13Cl2N3O3.
What is the molecular weight of 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
The molecular weight of 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone is 317.03 g/mol.
Where can I buy 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
You can request a quote for 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.