CAS RN: 37951-47-6
3′-Benzyloxy propiophenone
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.20250311 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS37951-47-6
- Purity/Analytical Methods: >99.0%
37951-47-6 / 1-phenyl-3-phenylmethoxypropan-1-one
Basic Information
CAS
37951-47-6
Multi CAS
Yes
Molecular Formula
C16H16O2
Molecular Weight
240.300000
Exact Mass
240.115030
InChI
InChI=1S/C16H16O2/c1-2-16(17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
InChIKey
JSKCFWWAJLLROT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
71.49
TPSA
26.3
LogP / Solubility
WLOGP
3.48
MLOGP
3.06
XLogP3
2.9
Consensus LogP
3.15
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
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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