RefChem:278775
TL;DR: RefChem:278775 (CAS 97720-48-4) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohex-3-en-1-yl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(Cyclohex-3-enyl)-4-propylbicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(3-cyclohexen-1-yl)-4-propyl-, 3-Cyclohexene-1-orthocarboxylic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol, 4-cyclohex-3-en-1-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane, 1-(Cyclohex-3-en-1-yl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 97720-48-4 |
|---|---|
| SMILES | CCCC12COC(OC1)(OC2)C3CCC=CC3 |
| InChIKey | ZVKMAZVSFIPANT-UHFFFAOYSA-N |
Product Overview
RefChem:278775 (CAS 97720-48-4), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: 1-cyclohex-3-en-1-yl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:278775
Property Insights of RefChem:278775
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:278775. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:278775 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:278775 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:278775?
The CAS number of RefChem:278775 is 97720-48-4.
What is the molecular formula of RefChem:278775?
The molecular formula of RefChem:278775 is C14H22O3.
What is the molecular weight of RefChem:278775?
The molecular weight of RefChem:278775 is 238.16 g/mol.
Where can I buy RefChem:278775?
You can request a quote for RefChem:278775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:278775?
Yes, KEHONG BIO provides custom synthesis services for RefChem:278775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.