2-Phenylethynyl-dibenzothiophene
TL;DR: 2-Phenylethynyl-dibenzothiophene (CAS 329935-66-2) is a chemical compound with molecular formula C20H12S and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethynyl)dibenzothiophene
Also Known As: 2-(2-phenylethynyl)dibenzothiophene, 2-PHENYLETHYNYL-DIBENZOTHIOPHENE, 2-(2-phenylethynyl)benzo[b]benzo[b]thiophene
| Molecular Formula | C20H12S |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 5.4543 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.06598 |
| Heavy Atoms | 21 |
| Complexity | 981.88165 |
Chemical Identifiers
| CAS Number | 329935-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC4=CC=CC=C43 |
Product Overview
2-Phenylethynyl-dibenzothiophene (CAS 329935-66-2), with molecular formula C20H12S and molecular weight 284.07 g/mol. IUPAC: 2-(2-phenylethynyl)dibenzothiophene.
Chemical Property Profile of 2-Phenylethynyl-dibenzothiophene
Property Insights of 2-Phenylethynyl-dibenzothiophene
The XLogP value of 5.4543 indicates that 2-Phenylethynyl-dibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Phenylethynyl-dibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethynyl-dibenzothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Phenylethynyl-dibenzothiophene?
The CAS number of 2-Phenylethynyl-dibenzothiophene is 329935-66-2.
What is the molecular formula of 2-Phenylethynyl-dibenzothiophene?
The molecular formula of 2-Phenylethynyl-dibenzothiophene is C20H12S.
What is the molecular weight of 2-Phenylethynyl-dibenzothiophene?
The molecular weight of 2-Phenylethynyl-dibenzothiophene is 284.07 g/mol.
Where can I buy 2-Phenylethynyl-dibenzothiophene?
You can request a quote for 2-Phenylethynyl-dibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethynyl-dibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethynyl-dibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.