1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine
TL;DR: 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine (CAS 88511-75-5) is a chemical compound with molecular formula C13H16BrNO2S and molecular weight 329.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-piperidin-1-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
Also Known As: KST-1B9023, 1-(2-bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine, 2-bromo-3-piperidin-1-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide, 2-bromo-3-(1-piperidyl)-2,3-dihydrobenzothiophene 1,1-dioxide, 2-bromo-3-piperidin-1-yl-2,3-dihydro-1-benzothiophene 1,1-di
| Molecular Formula | C13H16BrNO2S |
|---|---|
| Molecular Weight | 329.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.0085 |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 88511-75-5 |
|---|---|
| SMILES | C1CCN(CC1)C2C(S(=O)(=O)C3=CC=CC=C23)Br |
| InChIKey | XWSDTNCPIPMWKN-UHFFFAOYSA-N |
Product Overview
1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine (CAS 88511-75-5), with molecular formula C13H16BrNO2S and molecular weight 329.01 g/mol. IUPAC: 2-bromo-3-piperidin-1-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine
Property Insights of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine 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-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The CAS number of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine is 88511-75-5.
What is the molecular formula of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The molecular formula of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine is C13H16BrNO2S.
What is the molecular weight of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The molecular weight of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine is 329.01 g/mol.
Where can I buy 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
You can request a quote for 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.