3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide
TL;DR: 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide (CAS 66820-99-3) is a chemical compound with molecular formula C19H14O2S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diphenyl-2,1λ4-benzoxathiole 1-oxide
Also Known As: 3,3-diphenyl-2,1, 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide, 3,3-diphenyl-2,1lambda4-benzoxathiole 1-oxide, AP-836/41220187, 3,3-diphenyl-1,3-dihydro-2,1-benzoxathiol-1-ium-1-olate
| Molecular Formula | C19H14O2S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 4.0313 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.07144 |
| Heavy Atoms | 22 |
| Complexity | 788.8236 |
Chemical Identifiers
| CAS Number | 66820-99-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3S(=O)O2)C4=CC=CC=C4 |
Product Overview
3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide (CAS 66820-99-3), with molecular formula C19H14O2S and molecular weight 306.07 g/mol. IUPAC: 3,3-diphenyl-2,1λ4-benzoxathiole 1-oxide.
Chemical Property Profile of 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide
Property Insights of 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide
The XLogP value of 4.0313 indicates that 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide 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 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide?
The CAS number of 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide is 66820-99-3.
What is the molecular formula of 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide?
The molecular formula of 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide is C19H14O2S.
What is the molecular weight of 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide?
The molecular weight of 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide is 306.07 g/mol.
Where can I buy 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide?
You can request a quote for 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-diphenyl-3H-2,1-benzoxathiole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.