![piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- structure](/static/products/5886/588673-75-0.webp)
piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-
TL;DR: piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- (CAS 588673-75-0) is a chemical compound with molecular formula C22H17ClFN3O4S and molecular weight 473.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
Also Known As: piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-, 1-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one, 1-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one, 1-[4-[(3-Chloro-6-nitrobenzo[b]thien-2-yl)carbonyl]-1-piperazinyl]-3-(2-fluorophenyl)-2-propen-1-one
| Molecular Formula | C22H17ClFN3O4S |
|---|---|
| Molecular Weight | 473.06 g/mol |
| LogP | 4.5998 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.06122 |
| Heavy Atoms | 32 |
| Complexity | 1251.2018 |
Chemical Identifiers
| CAS Number | 588673-75-0 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C=CC2=CC=CC=C2F)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- (CAS 588673-75-0), with molecular formula C22H17ClFN3O4S and molecular weight 473.06 g/mol. IUPAC: 1-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one.
Chemical Property Profile of piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-
Property Insights of piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-
The XLogP value of 4.5998 indicates that piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-. Following Lipinski's Rule of Five, piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- has 0 hydrogen bond donor(s) and 5 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 piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-?
The CAS number of piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- is 588673-75-0.
What is the molecular formula of piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-?
The molecular formula of piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- is C22H17ClFN3O4S.
What is the molecular weight of piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-?
The molecular weight of piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- is 473.06 g/mol.
Where can I buy piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-?
You can request a quote for piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]-?
Yes, KEHONG BIO provides custom synthesis services for piperazine,1-[carbonyl]-4-[3-1-oxo-2-propenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.