Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide
TL;DR: Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide (CAS 39775-22-9) is a chemical compound with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-piperazin-1-yl-1-benzothiophene 1,1-dioxide
Also Known As: 2-Chloro-3-(1-piperazinyl)benzo(b)thiophene 1,1-dioxide, BENZO(b)THIOPHENE, 2-CHLORO-3-(1-PIPERAZINYL)-, 1,1-DIOXIDE, 2-chloro-3-piperazin-1-yl-1-benzothiophene 1,1-dioxide, 2-Chloro-3-(piperazin-1-yl)-1H-1lambda~6~-benzothiophene-1,1-dione, BRN 0541292
| Molecular Formula | C12H13ClN2O2S |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.03864 |
| Heavy Atoms | 18 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 39775-22-9 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(S(=O)(=O)C3=CC=CC=C32)Cl |
| InChIKey | DVEGMMOBQSLKED-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide (CAS 39775-22-9), with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol. IUPAC: 2-chloro-3-piperazin-1-yl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide
Property Insights of Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide. With a topological polar surface area (TPSA) of 57.8 Ų, Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide has 1 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 Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide?
The CAS number of Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide is 39775-22-9.
What is the molecular formula of Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide?
The molecular formula of Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide is C12H13ClN2O2S.
What is the molecular weight of Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide?
The molecular weight of Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide is 284.04 g/mol.
Where can I buy Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide?
You can request a quote for Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene, 2-chloro-3-(1-piperazinyl)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.