2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
TL;DR: 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one (CAS 53614-69-0) is a chemical compound with molecular formula C14H10OS and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1-benzothiophen-3-one
Also Known As: 2-phenylbenzo[b]thiophen-3(2h)-one, 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one, 2-phenylbenzothiophen-3-one, 2-phenyl-1-benzothiophen-3-one, 2-phenyl-benzo[b]thiophen-3-one
| Molecular Formula | C14H10OS |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 3.7163 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.04524 |
| Heavy Atoms | 16 |
| Complexity | 533.4414 |
Chemical Identifiers
| CAS Number | 53614-69-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3S2 |
Product Overview
2-Phenyl-2,3-dihydro-1-benzothiophen-3-one (CAS 53614-69-0), with molecular formula C14H10OS and molecular weight 226.05 g/mol. IUPAC: 2-phenyl-1-benzothiophen-3-one.
Chemical Property Profile of 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
Property Insights of 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
The XLogP value of 3.7163 indicates that 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one 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-Phenyl-2,3-dihydro-1-benzothiophen-3-one?
The CAS number of 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one is 53614-69-0.
What is the molecular formula of 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one?
The molecular formula of 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one is C14H10OS.
What is the molecular weight of 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one?
The molecular weight of 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one is 226.05 g/mol.
Where can I buy 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one?
You can request a quote for 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.