![2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole structure](/static/products/6979/69793-13-1.webp)
2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
TL;DR: 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole (CAS 69793-13-1) is a chemical compound with molecular formula C21H15NOS and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
Also Known As: 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole, 2-(p-tolyl)-1H-[1,4]benzoxathiino[2,3-f]indole, 1H-[1,4]Benzoxathiino[2,3-f]indole, 2-(4-methylphenyl)-
| Molecular Formula | C21H15NOS |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 50.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.08743 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 69793-13-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC3=CC4=C(C=C3N2)SC5=CC=CC=C5O4 |
| InChIKey | IGMXIYJSWPFRAD-UHFFFAOYSA-N |
Product Overview
2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole (CAS 69793-13-1), with molecular formula C21H15NOS and molecular weight 329.09 g/mol. IUPAC: 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole.
Chemical Property Profile of 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
Property Insights of 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
The XLogP value of 5.8 indicates that 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.3 Ų, 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole?
The CAS number of 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole is 69793-13-1.
What is the molecular formula of 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole?
The molecular formula of 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole is C21H15NOS.
What is the molecular weight of 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole?
The molecular weight of 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole is 329.09 g/mol.
Where can I buy 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole?
You can request a quote for 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.