2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one
TL;DR: 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one (CAS 476371-85-4) is a chemical compound with molecular formula C8H14O2S and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-methyl-1,3-oxathiolan-5-one
Also Known As: 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one, 2-tert-butyl-4-methyl-[1,3]oxathiolan-5-one, (2S,4S)-2-(tert-Butyl)-4-methyl-1,3-oxathiolan-5-one, RefChem:267140
| Molecular Formula | C8H14O2S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.07146 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 476371-85-4 |
|---|---|
| SMILES | CC1C(=O)OC(S1)C(C)(C)C |
| InChIKey | BBCNMYQDVCRBRW-UHFFFAOYSA-N |
Product Overview
2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one (CAS 476371-85-4), with molecular formula C8H14O2S and molecular weight 174.07 g/mol. IUPAC: 2-tert-butyl-4-methyl-1,3-oxathiolan-5-one.
Chemical Property Profile of 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one
Property Insights of 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one. With a topological polar surface area (TPSA) of 51.6 Ų, 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-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 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one?
The CAS number of 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one is 476371-85-4.
What is the molecular formula of 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one?
The molecular formula of 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one is C8H14O2S.
What is the molecular weight of 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one?
The molecular weight of 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one is 174.07 g/mol.
Where can I buy 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one?
You can request a quote for 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-4-methyl-1,3-oxathiolan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.