3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate
TL;DR: 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate (CAS 7472-80-2) is a chemical compound with molecular formula C9H15Cl3O4 and molecular weight 292.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethoxy-2-methylbutan-2-yl) 2,2,2-trichloroacetate
Also Known As: 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate, (3,3-dimethoxy-2-methylbutan-2-yl) 2,2,2-trichloroacetate
| Molecular Formula | C9H15Cl3O4 |
|---|---|
| Molecular Weight | 292.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.0036 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 7472-80-2 |
|---|---|
| SMILES | CC(C)(C(C)(OC)OC)OC(=O)C(Cl)(Cl)Cl |
| InChIKey | XLHCVCMKJUPAEG-UHFFFAOYSA-N |
Product Overview
3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate (CAS 7472-80-2), with molecular formula C9H15Cl3O4 and molecular weight 292.00 g/mol. IUPAC: (3,3-dimethoxy-2-methylbutan-2-yl) 2,2,2-trichloroacetate.
Chemical Property Profile of 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate
Property Insights of 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate. With a topological polar surface area (TPSA) of 44.8 Ų, 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate has 0 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 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate?
The CAS number of 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate is 7472-80-2.
What is the molecular formula of 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate?
The molecular formula of 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate is C9H15Cl3O4.
What is the molecular weight of 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate?
The molecular weight of 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate is 292.00 g/mol.
Where can I buy 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate?
You can request a quote for 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethoxy-2-methylbutan-2-yl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.