环扁桃酯
TL;DR: 环扁桃酯 (CAS 456-59-7) is a chemical compound with molecular formula C17H24O3 and molecular weight 276.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环扁桃酯
(3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate
Also Known As: cyclandelate, Cyclomandol, Cyclolyt, Cyclospasmol, Perebral
| Molecular Formula | C17H24O3 |
|---|---|
| Molecular Weight | 276.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.17255 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
| Melting Point | 50-53 |
| Boiling Point | 193 |
| Solubility | PRACTICALLY INSOL IN WATER; SOL IN LIPOIDS & THEIR SOLVENTS |
Chemical Identifiers
| CAS Number | 456-59-7 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O |
| InChIKey | WZHCOOQXZCIUNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环扁桃酯 (CAS 456-59-7), with molecular formula C17H24O3 and molecular weight 276.17 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate.
Chemical Property Profile of 环扁桃酯
Property Insights of 环扁桃酯
The XLogP value of 4.2 indicates that 环扁桃酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 环扁桃酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环扁桃酯 has 1 hydrogen bond donor(s) and 3 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 环扁桃酯?
The CAS number of 环扁桃酯 is 456-59-7.
What is the molecular formula of 环扁桃酯?
The molecular formula of 环扁桃酯 is C17H24O3.
What is the molecular weight of 环扁桃酯?
The molecular weight of 环扁桃酯 is 276.17 g/mol.
Where can I buy 环扁桃酯?
You can request a quote for 环扁桃酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环扁桃酯?
Yes, KEHONG BIO provides custom synthesis services for 环扁桃酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.