RefChem:335396
TL;DR: RefChem:335396 (CAS 97720-01-9) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Cyclohexyl-4-phenylbicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cyclohexyl-4-phenyl-, Cyclohexaneorthocarboxylic acid, cyclic ester with 2-(hydroxymethyl)-2-phenyl-1,3-propanediol, 1-Cyclohexyl-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane, 4-cyclohexyl-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C17H22O3 |
|---|---|
| Molecular Weight | 274.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.1569 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 97720-01-9 |
|---|---|
| SMILES | C1CCC(CC1)C23OCC(CO2)(CO3)C4=CC=CC=C4 |
| InChIKey | QMPXQFADHDLNMF-UHFFFAOYSA-N |
Product Overview
RefChem:335396 (CAS 97720-01-9), with molecular formula C17H22O3 and molecular weight 274.16 g/mol. IUPAC: 1-cyclohexyl-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:335396
Property Insights of RefChem:335396
The XLogP value of 3.5 indicates that RefChem:335396 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:335396 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335396 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:335396?
The CAS number of RefChem:335396 is 97720-01-9.
What is the molecular formula of RefChem:335396?
The molecular formula of RefChem:335396 is C17H22O3.
What is the molecular weight of RefChem:335396?
The molecular weight of RefChem:335396 is 274.16 g/mol.
Where can I buy RefChem:335396?
You can request a quote for RefChem:335396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335396?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.