RefChem:335398
TL;DR: RefChem:335398 (CAS 97719-99-8) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Cyclohexyl-4-ethylbicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cyclohexyl-4-ethyl-, Cyclohexaneorthocarboxylic acid, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1-cyclohexyl-4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane, 4-cyclohexyl-1-ethyl-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 97719-99-8 |
|---|---|
| SMILES | CCC12COC(OC1)(OC2)C3CCCCC3 |
| InChIKey | PGMPWEGLIACGIU-UHFFFAOYSA-N |
Product Overview
RefChem:335398 (CAS 97719-99-8), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: 1-cyclohexyl-4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:335398
Property Insights of RefChem:335398
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:335398. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:335398 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335398 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:335398?
The CAS number of RefChem:335398 is 97719-99-8.
What is the molecular formula of RefChem:335398?
The molecular formula of RefChem:335398 is C13H22O3.
What is the molecular weight of RefChem:335398?
The molecular weight of RefChem:335398 is 226.16 g/mol.
Where can I buy RefChem:335398?
You can request a quote for RefChem:335398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335398?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.