1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-
TL;DR: 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- (CAS 92572-53-7) is a chemical compound with molecular formula C11H18O2S and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-methyl-4-prop-2-enyl-1,3-oxathiolan-5-one
Also Known As: 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-, 4-Allyl-2-t-butyl-4-methyl-1,3-oxathiolan-5-one, 2-tert-butyl-4-methyl-4-prop-2-enyl-1,3-oxathiolan-5-one, 4-Allyl-2-tert-butyl-4-methyl-1,3-oxathiolan-5-one, 4-Allyl-2-tert-butyl-4-methyl-1,3-oxathiolan-5-one #
| Molecular Formula | C11H18O2S |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.10275 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 92572-53-7 |
|---|---|
| SMILES | CC1(C(=O)OC(S1)C(C)(C)C)CC=C |
| InChIKey | MLRWYEHVROZFHV-UHFFFAOYSA-N |
Product Overview
1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- (CAS 92572-53-7), with molecular formula C11H18O2S and molecular weight 214.10 g/mol. IUPAC: 2-tert-butyl-4-methyl-4-prop-2-enyl-1,3-oxathiolan-5-one.
Chemical Property Profile of 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-
Property Insights of 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-
The XLogP value of 3.8 indicates that 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- 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 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-?
The CAS number of 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- is 92572-53-7.
What is the molecular formula of 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-?
The molecular formula of 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- is C11H18O2S.
What is the molecular weight of 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-?
The molecular weight of 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- is 214.10 g/mol.
Where can I buy 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-?
You can request a quote for 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.