![4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one structure](/static/products/6439/64394-98-5.webp)
4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one
TL;DR: 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one (CAS 64394-98-5) is a chemical compound with molecular formula C17H26O3S and molecular weight 310.16 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-4λ6-thiatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene 4-oxide
Also Known As: 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one, 9-Tert-butyl-2,2,4,6,6-pentamethyl-3,5-dioxa-4lambda6-thiatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene 4-oxide
| Molecular Formula | C17H26O3S |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 36.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.16028 |
| Heavy Atoms | 21 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 64394-98-5 |
|---|---|
| SMILES | CC1(C2=CC(=CC3=C2S(=O)(O1)(OC3(C)C)C)C(C)(C)C)C |
| InChIKey | PRFCEGJYKUAIMI-UHFFFAOYSA-N |
Product Overview
4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one (CAS 64394-98-5), with molecular formula C17H26O3S and molecular weight 310.16 g/mol. IUPAC: 9-tert-butyl-2,2,4,6,6-pentamethyl-3,5-dioxa-4λ6-thiatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene 4-oxide.
Chemical Property Profile of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one
Property Insights of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one
The XLogP value of 4.0 indicates that 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.5 Ų, 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one 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~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-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 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one?
The CAS number of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one is 64394-98-5.
What is the molecular formula of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one?
The molecular formula of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one is C17H26O3S.
What is the molecular weight of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one?
The molecular weight of 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one is 310.16 g/mol.
Where can I buy 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one?
You can request a quote for 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one 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~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-2,2,6,6,8-pentamethyl-6,8-dihydro-2H-8lambda~6~-[1,2]oxathiolo[4,3,2-hi][2,1]benzoxathiol-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.