CAS RN: 42492-62-6
N-ME-VAL-OBZL P-TOSYLATE
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.20250116 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS42492-62-6
- Purity/Analytical Methods: >99.0%
42492-62-6 / 2-[benzyl(methyl)amino]-3-methylbutanoic acid
Basic Information
CAS
42492-62-6
Multi CAS
Yes
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
InChI
InChI=1S/C13H19NO2/c1-10(2)12(13(15)16)14(3)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,16)
InChIKey
BLRQXMHAGNJVHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.17
TPSA
40.54
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
0.4
Consensus LogP
1.53
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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