RefChem:367020
TL;DR: RefChem:367020 (CAS 97720-28-0) is a chemical compound with molecular formula C17H15FO3 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(4-Fluorophenyl)-4-phenylorthobicycloorthocarboxylate, Orthobenzoic acid, p-fluoro-, cyclic ester with 2-(hydroxymethyl)-2-phenyl-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-fluorophenyl)-4-phenyl-, p-Fluoroorthobenzoic acid cyclic ester with 2-(hydroxymethyl)-2-phenyl-1,3-propanediol, 1-(4-Fluorophenyl)-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C17H15FO3 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.10052 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 97720-28-0 |
|---|---|
| SMILES | C1C2(COC(O1)(OC2)C3=CC=C(C=C3)F)C4=CC=CC=C4 |
| InChIKey | LHVWTCGOLAOAND-UHFFFAOYSA-N |
Product Overview
RefChem:367020 (CAS 97720-28-0), with molecular formula C17H15FO3 and molecular weight 286.10 g/mol. IUPAC: 1-(4-fluorophenyl)-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367020
Property Insights of RefChem:367020
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367020. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:367020 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367020 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:367020?
The CAS number of RefChem:367020 is 97720-28-0.
What is the molecular formula of RefChem:367020?
The molecular formula of RefChem:367020 is C17H15FO3.
What is the molecular weight of RefChem:367020?
The molecular weight of RefChem:367020 is 286.10 g/mol.
Where can I buy RefChem:367020?
You can request a quote for RefChem:367020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367020?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.