氯乙酸异丁酯
TL;DR: 氯乙酸异丁酯 (CAS 13361-35-8) is a chemical compound with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯乙酸异丁酯
2-methylpropyl 2-chloroacetate
Also Known As: Isobutyl chloroacetate, 2-methylpropyl 2-chloroacetate, Acetic acid, chloro-, isobutyl ester, isobutyl 2-chloroacetate, 2-Methylpropyl Chloroacetate
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 13361-35-8 |
|---|---|
| SMILES | CC(C)COC(=O)CCl |
| InChIKey | QSGCJQBBHYWZHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯乙酸异丁酯 (CAS 13361-35-8), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: 2-methylpropyl 2-chloroacetate.
Chemical Property Profile of 氯乙酸异丁酯
Property Insights of 氯乙酸异丁酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯乙酸异丁酯. With a topological polar surface area (TPSA) of 26.3 Ų, 氯乙酸异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯乙酸异丁酯 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 氯乙酸异丁酯?
The CAS number of 氯乙酸异丁酯 is 13361-35-8.
What is the molecular formula of 氯乙酸异丁酯?
The molecular formula of 氯乙酸异丁酯 is C6H11ClO2.
What is the molecular weight of 氯乙酸异丁酯?
The molecular weight of 氯乙酸异丁酯 is 150.04 g/mol.
Where can I buy 氯乙酸异丁酯?
You can request a quote for 氯乙酸异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯乙酸异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 氯乙酸异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.