CAS RN: 620170-78-7
4-P-PDOT
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.20250217 | 1mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS620170-78-7
- Purity/Analytical Methods: >99.0%
620170-78-7 / N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
Basic Information
CAS
620170-78-7
Multi CAS
Yes
Molecular Formula
C19H21NO
Molecular Weight
279.400000
Exact Mass
279.162314
InChI
InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
InChIKey
RCYLUNPFECYGDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
85.27
TPSA
29.1
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
3.9
Consensus LogP
3.6
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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