CAS RN: 1260220-43-6
(S)-TERT-BUTYL 2-(4-AMINOPHENYL)MORPHOLINE-4-CARBOXYLATE
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.20251002 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260220-43-6
- Purity/Analytical Methods: >99.0%
1260220-43-6 / tert-butyl (2S)-2-(4-aminophenyl)morpholine-4-carboxylate
Basic Information
CAS
1260220-43-6
Multi CAS
No
Molecular Formula
C15H22N2O3
Molecular Weight
278.350000
Exact Mass
278.163043
SMILES
CC(C)(C)OC(=O)N1CCO[C@H](C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-8-9-19-13(10-17)11-4-6-12(16)7-5-11/h4-7,13H,8-10,16H2,1-3H3/t13-/m1/s1
InChIKey
RYLFTAZSKDUPAA-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.35
TPSA
64.79
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
1.6
Consensus LogP
2.15
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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