3-Acetyldibenzothiophene
TL;DR: 3-Acetyldibenzothiophene (CAS 5337-07-5) 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.
1-dibenzothiophen-3-ylethanone
Also Known As: 3-Acetyldibenzothiophene, 2-Acetyldibenzothiophene, 1-(3-Dibenzothienyl)ethanone, Ketone, 3-dibenzothienyl methyl, Ethanone, 1-(3-dibenzothienyl)-
| Molecular Formula | C14H10OS |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.04524 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 5337-07-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3S2 |
| InChIKey | OYNXXWUYUGWMGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetyldibenzothiophene (CAS 5337-07-5), with molecular formula C14H10OS and molecular weight 226.05 g/mol. IUPAC: 1-dibenzothiophen-3-ylethanone.
Chemical Property Profile of 3-Acetyldibenzothiophene
Property Insights of 3-Acetyldibenzothiophene
The XLogP value of 4.1 indicates that 3-Acetyldibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Acetyldibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyldibenzothiophene 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-Acetyldibenzothiophene?
The CAS number of 3-Acetyldibenzothiophene is 5337-07-5.
What is the molecular formula of 3-Acetyldibenzothiophene?
The molecular formula of 3-Acetyldibenzothiophene is C14H10OS.
What is the molecular weight of 3-Acetyldibenzothiophene?
The molecular weight of 3-Acetyldibenzothiophene is 226.05 g/mol.
Where can I buy 3-Acetyldibenzothiophene?
You can request a quote for 3-Acetyldibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyldibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyldibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.