CAS RN: 1236262-83-1
2-Amino-N-benzyl-N,3-dimethylbutanamidehydrochloride
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.20260429 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1236262-83-1
- Purity/Analytical Methods: >99.0%
1236262-83-1 / 2-amino-N-benzyl-N,3-dimethylbutanamide;hydrochloride
Basic Information
CAS
1236262-83-1
Multi CAS
No
Molecular Formula
C13H21ClN2O
Molecular Weight
256.770000
Exact Mass
256.134241
SMILES
CC(C)C(C(=O)N(C)CC1=CC=CC=C1)N.Cl
InChI
InChI=1S/C13H20N2O.ClH/c1-10(2)12(14)13(16)15(3)9-11-7-5-4-6-8-11;/h4-8,10,12H,9,14H2,1-3H3;1H
InChIKey
OTNFRYBEZJMOOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.98
TPSA
46.33
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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