5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole
TL;DR: 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole (CAS 69105-24-4) 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.
5-tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole
Also Known As: 5-tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole, 5-tert-Butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-3H-2,1-benzoxathiole
| Molecular Formula | C17H26O2S |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.16534 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 69105-24-4 |
|---|---|
| SMILES | CC1(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)OC)SO1)C |
| InChIKey | ZIBKXAINHJPPLH-UHFFFAOYSA-N |
Product Overview
5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole (CAS 69105-24-4), with molecular formula C17H26O2S and molecular weight 294.17 g/mol. IUPAC: 5-tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole.
Chemical Property Profile of 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole
Property Insights of 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole
The XLogP value of 4.2 indicates that 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-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 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole?
The CAS number of 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole is 69105-24-4.
What is the molecular formula of 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole?
The molecular formula of 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole is C17H26O2S.
What is the molecular weight of 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole?
The molecular weight of 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole is 294.17 g/mol.
Where can I buy 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole?
You can request a quote for 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-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 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.