Methoxycycloheptane
TL;DR: Methoxycycloheptane (CAS 42604-04-6) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxycycloheptane
Also Known As: Methoxycycloheptane, Cycloheptane, methoxy-, Cycloheptylmethylaether, Cycloheptyl methyl ether #, RefChem:352836
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 42604-04-6 |
|---|---|
| SMILES | COC1CCCCCC1 |
| InChIKey | QLAQTFNZWZHLFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methoxycycloheptane (CAS 42604-04-6), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: methoxycycloheptane.
Chemical Property Profile of Methoxycycloheptane
Property Insights of Methoxycycloheptane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methoxycycloheptane. With a topological polar surface area (TPSA) of 9.2 Ų, Methoxycycloheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methoxycycloheptane has 0 hydrogen bond donor(s) and 1 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 Methoxycycloheptane?
The CAS number of Methoxycycloheptane is 42604-04-6.
What is the molecular formula of Methoxycycloheptane?
The molecular formula of Methoxycycloheptane is C8H16O.
What is the molecular weight of Methoxycycloheptane?
The molecular weight of Methoxycycloheptane is 128.12 g/mol.
Where can I buy Methoxycycloheptane?
You can request a quote for Methoxycycloheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxycycloheptane?
Yes, KEHONG BIO provides custom synthesis services for Methoxycycloheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.