![1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one structure](/static/products/4237/423751-57-9.webp)
1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one
TL;DR: 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one (CAS 423751-57-9) is a chemical compound with molecular formula C14H18ClN3O3 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one
Also Known As: BIM-0040351.P001, 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one, 1-butyryl-4-(2-chloro-4-nitrophenyl)piperazine, AB00101859-01, A3145/0132946
| Molecular Formula | C14H18ClN3O3 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 2.6969 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.10367 |
| Heavy Atoms | 21 |
| Complexity | 542.2658 |
Chemical Identifiers
| CAS Number | 423751-57-9 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one (CAS 423751-57-9), with molecular formula C14H18ClN3O3 and molecular weight 311.10 g/mol. IUPAC: 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one.
Chemical Property Profile of 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one
Property Insights of 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one
The XLogP value of 2.6969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one. Following Lipinski's Rule of Five, 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-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 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one?
The CAS number of 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one is 423751-57-9.
What is the molecular formula of 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one?
The molecular formula of 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one is C14H18ClN3O3.
What is the molecular weight of 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one?
The molecular weight of 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one is 311.10 g/mol.
Where can I buy 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one?
You can request a quote for 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.