2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate
TL;DR: 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate (CAS 69105-23-3) is a chemical compound with molecular formula C23H28O3S and molecular weight 384.18 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-2,1-benzoxathiol-7-yl)propan-2-yl benzoate
Also Known As: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate, 2-(5-tert-Butyl-3,3-dimethyl-3H-2,1-benzoxathiol-7-yl)propan-2-yl benzoate
| Molecular Formula | C23H28O3S |
|---|---|
| Molecular Weight | 384.18 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.1759 |
| Heavy Atoms | 27 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 69105-23-3 |
|---|---|
| SMILES | CC1(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)OC(=O)C3=CC=CC=C3)SO1)C |
| InChIKey | HOUIBMGEYAFPKN-UHFFFAOYSA-N |
Product Overview
2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate (CAS 69105-23-3), with molecular formula C23H28O3S and molecular weight 384.18 g/mol. IUPAC: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate.
Chemical Property Profile of 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate
Property Insights of 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate
The XLogP value of 5.8 indicates that 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate. Following Lipinski's Rule of Five, 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate?
The CAS number of 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate is 69105-23-3.
What is the molecular formula of 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate?
The molecular formula of 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate is C23H28O3S.
What is the molecular weight of 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate?
The molecular weight of 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate is 384.18 g/mol.
Where can I buy 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate?
You can request a quote for 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate 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-2,1-benzoxathiol-7-yl)propan-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.