2-甲基丙酸环己酯
TL;DR: 2-甲基丙酸环己酯 (CAS 1129-47-1) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丙酸环己酯
cyclohexyl 2-methylpropanoate
Also Known As: Cyclohexyl isobutyrate, Cyclohexyl 2-methylpropanoate, Cyclohexylisobutyrate, cyclohexyl-iso-butyrate, Cyclohexyl iso-butyrate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 1129-47-1 |
|---|---|
| SMILES | CC(C)C(=O)OC1CCCCC1 |
| InChIKey | IYYXBWAISHVFEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基丙酸环己酯 (CAS 1129-47-1), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: cyclohexyl 2-methylpropanoate.
Chemical Property Profile of 2-甲基丙酸环己酯
Property Insights of 2-甲基丙酸环己酯
The XLogP value of 3.0 indicates that 2-甲基丙酸环己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-甲基丙酸环己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丙酸环己酯 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 2-甲基丙酸环己酯?
The CAS number of 2-甲基丙酸环己酯 is 1129-47-1.
What is the molecular formula of 2-甲基丙酸环己酯?
The molecular formula of 2-甲基丙酸环己酯 is C10H18O2.
What is the molecular weight of 2-甲基丙酸环己酯?
The molecular weight of 2-甲基丙酸环己酯 is 170.13 g/mol.
Where can I buy 2-甲基丙酸环己酯?
You can request a quote for 2-甲基丙酸环己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丙酸环己酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丙酸环己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.