1,3-Diphenylisobenzothiophene
TL;DR: 1,3-Diphenylisobenzothiophene (CAS 1666-85-9) is a chemical compound with molecular formula C20H14S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenyl-2-benzothiophene
Also Known As: 1,3-Diphenylbenzo[c]thiophene, 1,3-Diphenylisobenzothiophene, 1,3-Diphenyl-2-benzothiophene, 1,3-Diphenylisothianaphthene, 1,3-Diphenylisothiobenzofuran
| Molecular Formula | C20H14S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.08163 |
| Heavy Atoms | 21 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 1666-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C=CC=CC3=C(S2)C4=CC=CC=C4 |
| InChIKey | RQXSNTYLVXFUAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diphenylisobenzothiophene (CAS 1666-85-9), with molecular formula C20H14S and molecular weight 286.08 g/mol. IUPAC: 1,3-diphenyl-2-benzothiophene.
Chemical Property Profile of 1,3-Diphenylisobenzothiophene
Property Insights of 1,3-Diphenylisobenzothiophene
The XLogP value of 6.2 indicates that 1,3-Diphenylisobenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 1,3-Diphenylisobenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diphenylisobenzothiophene 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 1,3-Diphenylisobenzothiophene?
The CAS number of 1,3-Diphenylisobenzothiophene is 1666-85-9.
What is the molecular formula of 1,3-Diphenylisobenzothiophene?
The molecular formula of 1,3-Diphenylisobenzothiophene is C20H14S.
What is the molecular weight of 1,3-Diphenylisobenzothiophene?
The molecular weight of 1,3-Diphenylisobenzothiophene is 286.08 g/mol.
Where can I buy 1,3-Diphenylisobenzothiophene?
You can request a quote for 1,3-Diphenylisobenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diphenylisobenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diphenylisobenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.