CAS RN: 1670-47-9
CYCLOHEXANONE DIETHYL ACETAL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1670-47-9
- Purity/Analytical Methods: >99.0%
1670-47-9 / 1,1-diethoxycyclohexane
Basic Information
CAS
1670-47-9
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
SMILES
CCOC1(CCCCC1)OCC
InChI
InChI=1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3
InChIKey
MWUDABUKTZAZCX-UHFFFAOYSA-N
Physical Properties
Density
0.911-0.921 (20°)
Physical Description
Colourless to pale yellow clear liquid; Fruity, liquor, rum, tobacco, woody aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
49.07
TPSA
18.46
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.4
Consensus LogP
2.5
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
H412 (88.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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- CAS RN: 1670-88-8
- Product Code: starshine_CAS1670-88-8
- Purity/Analytical method: >99.0%
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