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CAS RN: 1417789-39-9
(S)-Morpholine-2-carbonitrile hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250114 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417789-39-9
- Purity/Analytical Methods: >99.0%
1417789-39-9 / (2S)-morpholine-2-carbonitrile;hydrochloride
Basic Information
CAS
1417789-39-9
Multi CAS
No
Molecular Formula
C5H9ClN2O
Molecular Weight
148.590000
Exact Mass
148.040341
SMILES
C1CO[C@@H](CN1)C#N.Cl
InChI
InChI=1S/C5H8N2O.ClH/c6-3-5-4-7-1-2-8-5;/h5,7H,1-2,4H2;1H/t5-;/m1./s1
InChIKey
ZMOKRKDCILYHIO-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.47
TPSA
45.05
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.08
XLogP3
-0.08
Consensus LogP
-0.08
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very 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)
-3.68
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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