![1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one structure](/static/products/5886/588678-08-4.webp)
1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
TL;DR: 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one (CAS 588678-08-4) is a chemical compound with molecular formula C22H16Cl2N2O2S and molecular weight 442.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
Also Known As: 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one, 1-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one, 1-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}-3-phenylprop-2- yn-1-one, 2-propyn-1-one, 1-[4-[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]-1-piperazinyl]-3-phenyl-, 2-propyn-1-one,1-[4-[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]-1-piperazinyl]-3-phenyl-
| Molecular Formula | C22H16Cl2N2O2S |
|---|---|
| Molecular Weight | 442.03 g/mol |
| LogP | 4.5442 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 442.03094 |
| Heavy Atoms | 29 |
| Complexity | 1140.069 |
Chemical Identifiers
| CAS Number | 588678-08-4 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C#CC2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl |
Product Overview
1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one (CAS 588678-08-4), with molecular formula C22H16Cl2N2O2S and molecular weight 442.03 g/mol. IUPAC: 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one.
Chemical Property Profile of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
Property Insights of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
The XLogP value of 4.5442 indicates that 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one has 0 hydrogen bond donor(s) and 3 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-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The CAS number of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one is 588678-08-4.
What is the molecular formula of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The molecular formula of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one is C22H16Cl2N2O2S.
What is the molecular weight of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The molecular weight of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one is 442.03 g/mol.
Where can I buy 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
You can request a quote for 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-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-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.