RefChem:367022
TL;DR: RefChem:367022 (CAS 97720-07-5) is a chemical compound with molecular formula C15H19FO3 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(4-Fluorophenyl)-4-tert-butylbicycloorthocarboxylate, Orthobenzoic acid, p-fluoro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol, p-Fluoroorthobenzoic acid cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-fluorophenyl)-, 1-tert-butyl-4-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C15H19FO3 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.13184 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 97720-07-5 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)F |
| InChIKey | NNPJYXUHCVYJAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:367022 (CAS 97720-07-5), with molecular formula C15H19FO3 and molecular weight 266.13 g/mol. IUPAC: 4-tert-butyl-1-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367022
Property Insights of RefChem:367022
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367022. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:367022 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367022 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:367022?
The CAS number of RefChem:367022 is 97720-07-5.
What is the molecular formula of RefChem:367022?
The molecular formula of RefChem:367022 is C15H19FO3.
What is the molecular weight of RefChem:367022?
The molecular weight of RefChem:367022 is 266.13 g/mol.
Where can I buy RefChem:367022?
You can request a quote for RefChem:367022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367022?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.