![3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one structure](/static/products/549/549535-29-7.png)
3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
TL;DR: 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one (CAS 549535-29-7) is a chemical compound with molecular formula C13H16ClN3O3 and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
Also Known As: 3-chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one, 1-propanone, 3-chloro-1-[4-(4-nitrophenyl)-1-piperazinyl]-
| Molecular Formula | C13H16ClN3O3 |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 1.8723 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.088 |
| Heavy Atoms | 20 |
| Complexity | 484.13968 |
Chemical Identifiers
| CAS Number | 549535-29-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCl |
Product Overview
3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one (CAS 549535-29-7), with molecular formula C13H16ClN3O3 and molecular weight 297.09 g/mol. IUPAC: 3-chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one.
Chemical Property Profile of 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
Property Insights of 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
The XLogP value of 1.8723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one. Following Lipinski's Rule of Five, 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one 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 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
The CAS number of 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one is 549535-29-7.
What is the molecular formula of 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
The molecular formula of 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one is C13H16ClN3O3.
What is the molecular weight of 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
The molecular weight of 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one is 297.09 g/mol.
Where can I buy 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
You can request a quote for 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.