CAS RN: 1416445-20-9
(R)-(4-BENZYL-6,6-DIMETHYLMORPHOLIN-2-YL)METHANOL
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.20250816 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1416445-20-9
- Purity/Analytical Methods: >99.0%
1416445-20-9 / [(2R)-4-benzyl-6,6-dimethylmorpholin-2-yl]methanol
Basic Information
CAS
1416445-20-9
Multi CAS
No
Molecular Formula
C14H21NO2
Molecular Weight
235.320000
Exact Mass
235.157229
SMILES
CC1(CN(C[C@@H](O1)CO)CC2=CC=CC=C2)C
InChI
InChI=1S/C14H21NO2/c1-14(2)11-15(9-13(10-16)17-14)8-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3/t13-/m1/s1
InChIKey
RKNCXMQRTZZKDM-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.76
TPSA
32.7
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-2.98
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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