![4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one structure](/static/products/1217/1217995-59-9.webp)
4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one
TL;DR: 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one (CAS 1217995-59-9) is a chemical compound with molecular formula C12H12O3S and molecular weight 236.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-one
Also Known As: ZERO/001487, 2-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-one, 2-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-4-one, 4-phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one, (2S,5R)-2-(phenylthio)-6,8-dioxabicyclo[3.2.1]octan-4-one
Technical Specifications
| Molecular Formula | C12H12O3S |
| Molecular Weight | 236.05072 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.05072 Da |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
| SMILES | C1C(C2COC(C1=O)O2)SC3=CC=CC=C3 |
| InChIKey | DHCDASQHIRYVRW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one
Property Insights of 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one. Following Lipinski's Rule of Five, 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one 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
What is the CAS number of 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one?
The CAS number of 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one is 1217995-59-9.
What is the molecular formula of 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one?
The molecular formula of 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one is C12H12O3S.
What is the molecular weight of 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one?
The molecular weight of 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one is 236.05072 g/mol.
Where can I buy 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one?
You can request a quote for 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Phenylthio-7,8-dioxabicyclo[3.2.1]octan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.