CAS RN: 1266238-76-9
(s)-3-fluoromethyl-morpholine hydrochloride
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.20250804 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1266238-76-9
- Purity/Analytical Methods: >99.0%
1266238-76-9 / (3S)-3-(fluoromethyl)morpholine;hydrochloride
Basic Information
CAS
1266238-76-9
Multi CAS
No
Molecular Formula
C5H11ClFNO
Molecular Weight
155.600000
Exact Mass
155.051320
SMILES
C1COC[C@H](N1)CF.Cl
InChI
InChI=1S/C5H10FNO.ClH/c6-3-5-4-8-2-1-7-5;/h5,7H,1-4H2;1H/t5-;/m1./s1
InChIKey
CKPCDQGUDWJMNH-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.83
TPSA
21.26
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.37
Consensus LogP
0.35
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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