CAS RN: 37062-63-8
4′-OCTYLOXYACETOPHENONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260422 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS37062-63-8
- Purity/Analytical Methods: >99.0%
37062-63-8 / 1-(4-octoxyphenyl)ethanone
Basic Information
CAS
37062-63-8
Multi CAS
Yes
Molecular Formula
C16H24O2
Molecular Weight
248.360000
Exact Mass
248.177630
InChI
InChI=1S/C16H24O2/c1-3-4-5-6-7-8-13-18-16-11-9-15(10-12-16)14(2)17/h9-12H,3-8,13H2,1-2H3
InChIKey
VPKXMEDAPFGBQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
75.32
TPSA
26.3
LogP / Solubility
WLOGP
4.63
MLOGP
4.08
XLogP3
5.1
Consensus LogP
4.6
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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