2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol
TL;DR: 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol (CAS 69105-31-3) is a chemical compound with molecular formula C16H24O4S and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-tert-butyl-3,3-dimethyl-1,1-dioxo-2,1λ6-benzoxathiol-7-yl)propan-2-ol
Also Known As: 2-(5-tert-butyl-3,3-dimethyl-1,1-dioxo-2,1, 2-(5-tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-, 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol, 5-tert-Butyl-7-(2-hydroxypropan-2-yl)-3,3-dimethyl-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
| Molecular Formula | C16H24O4S |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.13953 |
| Heavy Atoms | 21 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 69105-31-3 |
|---|---|
| SMILES | CC1(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)O)S(=O)(=O)O1)C |
| InChIKey | AWVZEPKVUAWZKW-UHFFFAOYSA-N |
Product Overview
2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol (CAS 69105-31-3), with molecular formula C16H24O4S and molecular weight 312.14 g/mol. IUPAC: 2-(5-tert-butyl-3,3-dimethyl-1,1-dioxo-2,1λ6-benzoxathiol-7-yl)propan-2-ol.
Chemical Property Profile of 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol
Property Insights of 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol. Following Lipinski's Rule of Five, 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol has 1 hydrogen bond donor(s) and 4 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 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol?
The CAS number of 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol is 69105-31-3.
What is the molecular formula of 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol?
The molecular formula of 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol is C16H24O4S.
What is the molecular weight of 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol?
The molecular weight of 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol is 312.14 g/mol.
Where can I buy 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol?
You can request a quote for 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Tert-butyl-3,3-dimethyl-1,1-dioxo-2,1lambda6-benzoxathiol-7-yl)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.