CAS RN: 51352-88-6
PRL-8-53
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.20260227 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS51352-88-6
- Purity/Analytical Methods: >99.0%
51352-88-6 / methyl 3-[2-[benzyl(methyl)amino]ethyl]benzoate
Basic Information
CAS
51352-88-6
Multi CAS
Yes
Molecular Formula
C18H21NO2
Molecular Weight
283.400000
Exact Mass
283.157229
InChI
InChI=1S/C18H21NO2/c1-19(14-16-7-4-3-5-8-16)12-11-15-9-6-10-17(13-15)18(20)21-2/h3-10,13H,11-12,14H2,1-2H3
InChIKey
IGJQEMHBYKNIQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
84.26
TPSA
29.54
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
3.6
Consensus LogP
3.18
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS51356-03-7
- Purity/Analytical method: >99.0%
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