CAS RN: 26953-37-7
N-(2-AMINO-ETHYL)-2-(BENZYL-PHENYL-AMINO)-ACETAMIDE MALEATE
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.20260428 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS26953-37-7
- Purity/Analytical Methods: >99.0%
26953-37-7 / N-(2-aminoethyl)-2-(N-benzylanilino)acetamide
Basic Information
CAS
26953-37-7
Multi CAS
No
Molecular Formula
C17H21N3O
Molecular Weight
283.370000
Exact Mass
283.168462
SMILES
C1=CC=C(C=C1)CN(CC(=O)NCCN)C2=CC=CC=C2
InChI
InChI=1S/C17H21N3O/c18-11-12-19-17(21)14-20(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10H,11-14,18H2,(H,19,21)
InChIKey
LIMOMEWLCFTFCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86
TPSA
58.36
LogP / Solubility
WLOGP
1.77
MLOGP
1.57
XLogP3
1.9
Consensus LogP
1.75
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
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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