RefChem:367029
TL;DR: RefChem:367029 (CAS 97720-27-9) is a chemical compound with molecular formula C15H15F5O3 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-(2,3,4,5,6-pentafluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(Pentafluorophenyl)-4-tert-butylbicycloorthocarboxylate, Orthobenzoic acid, pentafluoro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(pentafluorophenyl)-, 4-tert-butyl-1-(pentafluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane, 1-tert-butyl-4-(2,3,4,5,6-pentafluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C15H15F5O3 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.09415 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 97720-27-9 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=C(C(=C(C(=C3F)F)F)F)F |
| InChIKey | ZSSVMGQSDIKYSE-UHFFFAOYSA-N |
Product Overview
RefChem:367029 (CAS 97720-27-9), with molecular formula C15H15F5O3 and molecular weight 338.09 g/mol. IUPAC: 4-tert-butyl-1-(2,3,4,5,6-pentafluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367029
Property Insights of RefChem:367029
The XLogP value of 3.2 indicates that RefChem:367029 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:367029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367029 has 0 hydrogen bond donor(s) and 8 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:367029?
The CAS number of RefChem:367029 is 97720-27-9.
What is the molecular formula of RefChem:367029?
The molecular formula of RefChem:367029 is C15H15F5O3.
What is the molecular weight of RefChem:367029?
The molecular weight of RefChem:367029 is 338.09 g/mol.
Where can I buy RefChem:367029?
You can request a quote for RefChem:367029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367029?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.