![1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one structure](/static/products/4449/444925-80-8.webp)
1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one
TL;DR: 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one (CAS 444925-80-8) is a chemical compound with molecular formula C17H11Cl2F7N2O2S and molecular weight 509.98 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]-2,2,3,3,4,4,4-heptafluorobutan-1-one
Also Known As: 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one, 1-[(3,6-dichloro-1-benzothien-2-yl)carbonyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazine, 1-{4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one, 1-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}-2,2,3,3,4,4,4-h eptafluorobutan-1-one
| Molecular Formula | C17H11Cl2F7N2O2S |
|---|---|
| Molecular Weight | 509.98 g/mol |
| LogP | 5.3254 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 509.98065 |
| Heavy Atoms | 31 |
| Complexity | 1033.392 |
Chemical Identifiers
| CAS Number | 444925-80-8 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one (CAS 444925-80-8), with molecular formula C17H11Cl2F7N2O2S and molecular weight 509.98 g/mol. IUPAC: 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one.
Chemical Property Profile of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one
Property Insights of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one
The XLogP value of 5.3254 indicates that 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-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]-2,2,3,3,4,4,4-heptafluorobutan-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]-2,2,3,3,4,4,4-heptafluorobutan-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one?
The CAS number of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one is 444925-80-8.
What is the molecular formula of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one?
The molecular formula of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one is C17H11Cl2F7N2O2S.
What is the molecular weight of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one?
The molecular weight of 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one is 509.98 g/mol.
Where can I buy 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one?
You can request a quote for 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-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]-2,2,3,3,4,4,4-heptafluorobutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.