CAS RN: 70414-49-2
2,2-Dimethyl-1-(Morpholin-4-Yl)Propan-1-One
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.20250706 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS70414-49-2
- Purity/Analytical Methods: >99.0%
70414-49-2 / 2,2-dimethyl-1-morpholin-4-ylpropan-1-one
Basic Information
CAS
70414-49-2
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
InChI
InChI=1S/C9H17NO2/c1-9(2,3)8(11)10-4-6-12-7-5-10/h4-7H2,1-3H3
InChIKey
ZNYMSOJUAJANBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.85
TPSA
29.54
LogP / Solubility
WLOGP
0.89
MLOGP
0.78
XLogP3
0.8
Consensus LogP
0.82
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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