1-甲基-2,2,2-三氯乙基乙酸酯
TL;DR: 1-甲基-2,2,2-三氯乙基乙酸酯 (CAS 19376-15-9) is a chemical compound with molecular formula C5H7Cl3O2 and molecular weight 203.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-2,2,2-三氯乙基乙酸酯
1,1,1-trichloropropan-2-yl acetate
Also Known As: Trichloroisopropyl acetate, 1,1,1-trichloropropan-2-yl acetate, 2,2,2-trichloroisopropyl acetate, 2-acetoxy-1,1,1-trichloropropane, Acetic acid, ester with alpha-trichloroisopropanol
| Molecular Formula | C5H7Cl3O2 |
|---|---|
| Molecular Weight | 203.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.95116 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 19376-15-9 |
|---|---|
| SMILES | CC(C(Cl)(Cl)Cl)OC(=O)C |
| InChIKey | YFLDUTFKTAURAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基-2,2,2-三氯乙基乙酸酯 (CAS 19376-15-9), with molecular formula C5H7Cl3O2 and molecular weight 203.95 g/mol. IUPAC: 1,1,1-trichloropropan-2-yl acetate.
Chemical Property Profile of 1-甲基-2,2,2-三氯乙基乙酸酯
Property Insights of 1-甲基-2,2,2-三氯乙基乙酸酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基-2,2,2-三氯乙基乙酸酯. With a topological polar surface area (TPSA) of 26.3 Ų, 1-甲基-2,2,2-三氯乙基乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基-2,2,2-三氯乙基乙酸酯 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 1-甲基-2,2,2-三氯乙基乙酸酯?
The CAS number of 1-甲基-2,2,2-三氯乙基乙酸酯 is 19376-15-9.
What is the molecular formula of 1-甲基-2,2,2-三氯乙基乙酸酯?
The molecular formula of 1-甲基-2,2,2-三氯乙基乙酸酯 is C5H7Cl3O2.
What is the molecular weight of 1-甲基-2,2,2-三氯乙基乙酸酯?
The molecular weight of 1-甲基-2,2,2-三氯乙基乙酸酯 is 203.95 g/mol.
Where can I buy 1-甲基-2,2,2-三氯乙基乙酸酯?
You can request a quote for 1-甲基-2,2,2-三氯乙基乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-2,2,2-三氯乙基乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-2,2,2-三氯乙基乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.