RefChem:367021
TL;DR: RefChem:367021 (CAS 97720-08-6) is a chemical compound with molecular formula C17H21FO3 and molecular weight 292.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-1-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(4-Fluorophenyl)-4-cyclohexylbicycloorthocarboxylate, Orthobenzoic acid, p-fluoro-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-cyclohexyl-1-(4-fluorophenyl)-, p-Fluoroorthobenzoic acid cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol, 1-cyclohexyl-4-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C17H21FO3 |
|---|---|
| Molecular Weight | 292.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.14746 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 97720-08-6 |
|---|---|
| SMILES | C1CCC(CC1)C23COC(OC2)(OC3)C4=CC=C(C=C4)F |
| InChIKey | XJVYSPIPHNEBBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:367021 (CAS 97720-08-6), with molecular formula C17H21FO3 and molecular weight 292.15 g/mol. IUPAC: 4-cyclohexyl-1-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367021
Property Insights of RefChem:367021
The XLogP value of 3.8 indicates that RefChem:367021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:367021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367021 has 0 hydrogen bond donor(s) and 4 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 RefChem:367021?
The CAS number of RefChem:367021 is 97720-08-6.
What is the molecular formula of RefChem:367021?
The molecular formula of RefChem:367021 is C17H21FO3.
What is the molecular weight of RefChem:367021?
The molecular weight of RefChem:367021 is 292.15 g/mol.
Where can I buy RefChem:367021?
You can request a quote for RefChem:367021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367021?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.