2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole
TL;DR: 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole (CAS 75893-92-4) is a chemical compound with molecular formula C16H14O3S and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-4-phenyl-3,5-dioxa-4λ4-thiatricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-2-one
Also Known As: 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole, 6,6-Dimethyl-4-phenyl-3,5-dioxa-4lambda4-thiatricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-2-one, 6,6-Dimethyl-8-phenyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-2-one
| Molecular Formula | C16H14O3S |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 36.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.06638 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 75893-92-4 |
|---|---|
| SMILES | CC1(C2=CC=CC3=C2S(O1)(OC3=O)C4=CC=CC=C4)C |
| InChIKey | MZHUFQVDZQJNIV-UHFFFAOYSA-N |
Product Overview
2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole (CAS 75893-92-4), with molecular formula C16H14O3S and molecular weight 286.07 g/mol. IUPAC: 6,6-dimethyl-4-phenyl-3,5-dioxa-4λ4-thiatricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-2-one.
Chemical Property Profile of 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole
Property Insights of 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole
The XLogP value of 4.1 indicates that 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.5 Ų, 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole has 0 hydrogen bond donor(s) and 4 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 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole?
The CAS number of 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole is 75893-92-4.
What is the molecular formula of 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole?
The molecular formula of 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole is C16H14O3S.
What is the molecular weight of 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole?
The molecular weight of 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole is 286.07 g/mol.
Where can I buy 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole?
You can request a quote for 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-6-oxo-8-phenyl-2H,6H-thioxolobenzthioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.