![4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane structure](/static/products/6969/69697-53-6.webp)
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
TL;DR: 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane (CAS 69697-53-6) is a chemical compound with molecular formula C8H14O2S and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5-trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
Also Known As: 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane, 1,2,2-trimethyl-7,8-dioxa-3-thiabicyclo[3.2.1]octane, 4,4,5-Trimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)ctane, 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane #
| Molecular Formula | C8H14O2S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.07146 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 69697-53-6 |
|---|---|
| SMILES | CC1(C2(OCC(O2)CS1)C)C |
| InChIKey | GVUDOWQPVVUZDI-UHFFFAOYSA-N |
Product Overview
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane (CAS 69697-53-6), with molecular formula C8H14O2S and molecular weight 174.07 g/mol. IUPAC: 4,4,5-trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane.
Chemical Property Profile of 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
Property Insights of 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane. With a topological polar surface area (TPSA) of 43.8 Ų, 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane 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 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The CAS number of 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane is 69697-53-6.
What is the molecular formula of 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The molecular formula of 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane is C8H14O2S.
What is the molecular weight of 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The molecular weight of 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane is 174.07 g/mol.
Where can I buy 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
You can request a quote for 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.