CAS RN: 2322933-54-8
tert-butyl (R)-(2-amino-1-(2-methoxyphenyl)ethyl)carbamate
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.20250502 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2322933-54-8
- Purity/Analytical Methods: >99.0%
2322933-54-8 / tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate
Basic Information
CAS
2322933-54-8
Multi CAS
No
Molecular Formula
C14H22N2O3
Molecular Weight
266.340000
Exact Mass
266.163043
SMILES
CC(C)(C)OC(=O)NC(CN)C1=CC=CC=C1OC
InChI
InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-11(9-15)10-7-5-6-8-12(10)18-4/h5-8,11H,9,15H2,1-4H3,(H,16,17)
InChIKey
RNEGUFKAOUIENK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
74.16
TPSA
73.58
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
1.5
Consensus LogP
1.89
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.77
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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