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Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one
TL;DR: Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one (CAS 301164-82-9) is a chemical compound with molecular formula C19H12O3S and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2,1λ4-benzoxathiole-3,9'-xanthene] 1-oxide
Also Known As: spiro[2,1, Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one, Spiro[8-oxa-7$l^{4}-thiabicyclo[4.3.0]nona-1,3,5-triene-9,9'-xanthene] 7-oxide
| Molecular Formula | C19H12O3S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 4.137 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.05072 |
| Heavy Atoms | 23 |
| Complexity | 918.5884 |
Chemical Identifiers
| CAS Number | 301164-82-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C4=CC=CC=C4O2)C5=CC=CC=C5S(=O)O3 |
Product Overview
Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one (CAS 301164-82-9), with molecular formula C19H12O3S and molecular weight 320.05 g/mol. IUPAC: spiro[2,1λ4-benzoxathiole-3,9'-xanthene] 1-oxide.
Chemical Property Profile of Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one
Property Insights of Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one
The XLogP value of 4.137 indicates that Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one has 0 hydrogen bond donor(s) and 3 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 Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one?
The CAS number of Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one is 301164-82-9.
What is the molecular formula of Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one?
The molecular formula of Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one is C19H12O3S.
What is the molecular weight of Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one?
The molecular weight of Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one is 320.05 g/mol.
Where can I buy Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one?
You can request a quote for Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one?
Yes, KEHONG BIO provides custom synthesis services for Spiro[2,1-benzoxathiole-3,9'-xanthene]-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.