三氯乙酸2-甲基丙酯
TL;DR: 三氯乙酸2-甲基丙酯 (CAS 33560-15-5) is a chemical compound with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯乙酸2-甲基丙酯
2-methylpropyl 2,2,2-trichloroacetate
Also Known As: Isobutyl trichloroacetate, Trichloroacetic acid 2-methylpropyl ester, Acetic acid, isobutyl ester, Trichloroacetic acid isobutyl ester, 2-methylpropyl 2,2,2-trichloroacetate
| Molecular Formula | C6H9Cl3O2 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.96681 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 33560-15-5 |
|---|---|
| SMILES | CC(C)COC(=O)C(Cl)(Cl)Cl |
| InChIKey | LRASRNYGUIRRSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯乙酸2-甲基丙酯 (CAS 33560-15-5), with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol. IUPAC: 2-methylpropyl 2,2,2-trichloroacetate.
Chemical Property Profile of 三氯乙酸2-甲基丙酯
Property Insights of 三氯乙酸2-甲基丙酯
The XLogP value of 3.4 indicates that 三氯乙酸2-甲基丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 三氯乙酸2-甲基丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯乙酸2-甲基丙酯 has 0 hydrogen bond donor(s) and 2 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 三氯乙酸2-甲基丙酯?
The CAS number of 三氯乙酸2-甲基丙酯 is 33560-15-5.
What is the molecular formula of 三氯乙酸2-甲基丙酯?
The molecular formula of 三氯乙酸2-甲基丙酯 is C6H9Cl3O2.
What is the molecular weight of 三氯乙酸2-甲基丙酯?
The molecular weight of 三氯乙酸2-甲基丙酯 is 217.97 g/mol.
Where can I buy 三氯乙酸2-甲基丙酯?
You can request a quote for 三氯乙酸2-甲基丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯乙酸2-甲基丙酯?
Yes, KEHONG BIO provides custom synthesis services for 三氯乙酸2-甲基丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.