3-Phenyl-1-benzothiophene 1,1-dioxide
TL;DR: 3-Phenyl-1-benzothiophene 1,1-dioxide (CAS 27183-55-7) is a chemical compound with molecular formula C14H10O2S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1-benzothiophene 1,1-dioxide
Also Known As: 3-phenyl-1-benzothiophene 1,1-dioxide, benzo[b]thiophene, 3-phenyl-, 1,1-dioxide, 3-Phenyl-benzo[b]thiophen-1,1-dioxid, 3-Phenylbenzo[b]thiophene, 1,1-dioxide, AB-131/15501009
| Molecular Formula | C14H10O2S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.04015 |
| Heavy Atoms | 17 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 27183-55-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | MTBZLCFPAGYFDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-1-benzothiophene 1,1-dioxide (CAS 27183-55-7), with molecular formula C14H10O2S and molecular weight 242.04 g/mol. IUPAC: 3-phenyl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 3-Phenyl-1-benzothiophene 1,1-dioxide
Property Insights of 3-Phenyl-1-benzothiophene 1,1-dioxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-1-benzothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Phenyl-1-benzothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 3-Phenyl-1-benzothiophene 1,1-dioxide?
The CAS number of 3-Phenyl-1-benzothiophene 1,1-dioxide is 27183-55-7.
What is the molecular formula of 3-Phenyl-1-benzothiophene 1,1-dioxide?
The molecular formula of 3-Phenyl-1-benzothiophene 1,1-dioxide is C14H10O2S.
What is the molecular weight of 3-Phenyl-1-benzothiophene 1,1-dioxide?
The molecular weight of 3-Phenyl-1-benzothiophene 1,1-dioxide is 242.04 g/mol.
Where can I buy 3-Phenyl-1-benzothiophene 1,1-dioxide?
You can request a quote for 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 3-Phenyl-1-benzothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1-benzothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.