2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide
TL;DR: 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide (CAS 39561-65-4) is a chemical compound with molecular formula C14H9ClO2S and molecular weight 276.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-phenyl-1-benzothiophene 1,1-dioxide
Also Known As: 2-chloro-3-phenyl-1-benzothiophene 1,1-dioxide, AB-131/15501046
| Molecular Formula | C14H9ClO2S |
|---|---|
| Molecular Weight | 276.00 g/mol |
| LogP | 3.4296 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.0012 |
| Heavy Atoms | 18 |
| Complexity | 746.3733 |
Chemical Identifiers
| CAS Number | 39561-65-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(S(=O)(=O)C3=CC=CC=C32)Cl |
Product Overview
2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide (CAS 39561-65-4), with molecular formula C14H9ClO2S and molecular weight 276.00 g/mol. IUPAC: 2-chloro-3-phenyl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide
Property Insights of 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide
The XLogP value of 3.4296 indicates that 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 2 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 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide?
The CAS number of 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide is 39561-65-4.
What is the molecular formula of 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide?
The molecular formula of 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide is C14H9ClO2S.
What is the molecular weight of 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide?
The molecular weight of 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide is 276.00 g/mol.
Where can I buy 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide?
You can request a quote for 2-Chloro-3-phenyl-1-benzothiophene 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 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-phenyl-1-benzothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.