RefChem:335079
TL;DR: RefChem:335079 (CAS 97720-39-3) is a chemical compound with molecular formula C16H28O3 and molecular weight 268.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-cycloheptyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Cycloheptyl-4-tert-butylbicycloorthocarboxylate, Cycloheptaneorthocarboxylic acid, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cycloheptyl-4-(1,1-dimethylethyl)-, 1-tert-butyl-4-cycloheptyl-3,5,8-trioxabicyclo[2.2.2]octane, 4-tert-butyl-1-cycloheptyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C16H28O3 |
|---|---|
| Molecular Weight | 268.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.20386 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 97720-39-3 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3CCCCCC3 |
| InChIKey | NOUCUYRVVFUIOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:335079 (CAS 97720-39-3), with molecular formula C16H28O3 and molecular weight 268.20 g/mol. IUPAC: 4-tert-butyl-1-cycloheptyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:335079
Property Insights of RefChem:335079
The XLogP value of 4.2 indicates that RefChem:335079 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:335079 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335079 has 0 hydrogen bond donor(s) and 3 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:335079?
The CAS number of RefChem:335079 is 97720-39-3.
What is the molecular formula of RefChem:335079?
The molecular formula of RefChem:335079 is C16H28O3.
What is the molecular weight of RefChem:335079?
The molecular weight of RefChem:335079 is 268.20 g/mol.
Where can I buy RefChem:335079?
You can request a quote for RefChem:335079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335079?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.