CAS RN: 218595-15-4
(S)-3-IsopropylMorpholine HCl
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.20260227 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS218595-15-4
- Purity/Analytical Methods: >99.0%
218595-15-4 / (3S)-3-propan-2-ylmorpholine;hydrochloride
Basic Information
CAS
218595-15-4
Multi CAS
No
Molecular Formula
C7H16ClNO
Molecular Weight
165.660000
Exact Mass
165.092042
SMILES
CC(C)[C@H]1COCCN1.Cl
InChI
InChI=1S/C7H15NO.ClH/c1-6(2)7-5-9-4-3-8-7;/h6-8H,3-5H2,1-2H3;1H/t7-;/m1./s1
InChIKey
QFMXNDMRPNTHNP-OGFXRTJISA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.7
TPSA
21.26
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.98
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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