![4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole structure](/static/products/6439/64394-97-4.webp)
4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole
TL;DR: 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole (CAS 64394-97-4) is a chemical compound with molecular formula C17H26O2S and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-tert-butyl-2,2,4,6,6-pentamethyl-3,5-dioxa-4λ4-thiatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
Also Known As: 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole, 9-Tert-butyl-2,2,4,6,6-pentamethyl-3,5-dioxa-4lambda4-thiatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
| Molecular Formula | C17H26O2S |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 19.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.16534 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 64394-97-4 |
|---|---|
| SMILES | CC1(C2=CC(=CC3=C2S(O1)(OC3(C)C)C)C(C)(C)C)C |
| InChIKey | XMENNKXQEOBPBY-UHFFFAOYSA-N |
Product Overview
4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole (CAS 64394-97-4), with molecular formula C17H26O2S and molecular weight 294.17 g/mol. IUPAC: 9-tert-butyl-2,2,4,6,6-pentamethyl-3,5-dioxa-4λ4-thiatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene.
Chemical Property Profile of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole
Property Insights of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole
The XLogP value of 4.6 indicates that 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.5 Ų, 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole 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-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole?
The CAS number of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole is 64394-97-4.
What is the molecular formula of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole?
The molecular formula of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole is C17H26O2S.
What is the molecular weight of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole?
The molecular weight of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole is 294.17 g/mol.
Where can I buy 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole?
You can request a quote for 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~4~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.