(2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one
TL;DR: (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one (CAS 81037-07-2) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one
Also Known As: (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one, 2-t-Butyl-5-methyl[1,3]dioxolan-4-one, J1.221.544D, 2beta-tert-Butyl-5alpha-methyl-1,3-dioxolane-4-one, (2R)-2beta-tert-Butyl-5alpha-methyl-1,3-dioxolane-4-one
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.3205 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 168.66621 |
Chemical Identifiers
| CAS Number | 81037-07-2 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H](O1)C(C)(C)C |
Product Overview
(2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one (CAS 81037-07-2), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one.
Chemical Property Profile of (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one
Property Insights of (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one
The XLogP value of 1.3205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one. With a topological polar surface area (TPSA) of 35.53 Ų, (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-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 (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one?
The CAS number of (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one is 81037-07-2.
What is the molecular formula of (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one?
The molecular formula of (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one is C8H14O3.
What is the molecular weight of (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one?
The molecular weight of (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one is 158.09 g/mol.
Where can I buy (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one?
You can request a quote for (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one?
Yes, KEHONG BIO provides custom synthesis services for (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.