环己烷丙酸甲酯
TL;DR: 环己烷丙酸甲酯 (CAS 20681-51-0) 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.
环己烷丙酸甲酯
methyl 3-cyclohexylpropanoate
Also Known As: Methyl 3-cyclohexylpropanoate, Methyl cyclohexanepropionate, Cyclohexanepropionic acid methyl ester, Methyl 3-cyclohexylpropionate, Methyl Cyclohexanepropanoate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 20681-51-0 |
|---|---|
| SMILES | COC(=O)CCC1CCCCC1 |
| InChIKey | PPALFHZGSIENQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己烷丙酸甲酯 (CAS 20681-51-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: methyl 3-cyclohexylpropanoate.
Chemical Property Profile of 环己烷丙酸甲酯
Property Insights of 环己烷丙酸甲酯
The XLogP value of 3.1 indicates that 环己烷丙酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 环己烷丙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己烷丙酸甲酯 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 环己烷丙酸甲酯?
The CAS number of 环己烷丙酸甲酯 is 20681-51-0.
What is the molecular formula of 环己烷丙酸甲酯?
The molecular formula of 环己烷丙酸甲酯 is C10H18O2.
What is the molecular weight of 环己烷丙酸甲酯?
The molecular weight of 环己烷丙酸甲酯 is 170.13 g/mol.
Where can I buy 环己烷丙酸甲酯?
You can request a quote for 环己烷丙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己烷丙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 环己烷丙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.