CAS RN: 1821669-94-6
(2S,5S)-2-Methyl-5-phenylmorpholine 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.20260328 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1821669-94-6
- Purity/Analytical Methods: >99.0%
1821669-94-6 / (2S,5S)-2-methyl-5-phenylmorpholine;hydrochloride
Basic Information
CAS
1821669-94-6
Multi CAS
No
Molecular Formula
C11H16ClNO
Molecular Weight
213.700000
Exact Mass
213.092042
SMILES
C[C@H]1CN[C@H](CO1)C2=CC=CC=C2.Cl
InChI
InChI=1S/C11H15NO.ClH/c1-9-7-12-11(8-13-9)10-5-3-2-4-6-10;/h2-6,9,11-12H,7-8H2,1H3;1H/t9-,11+;/m0./s1
InChIKey
XSPPNNAYDXPDJO-QLSWKGBWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.85
TPSA
21.26
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.16
Consensus LogP
2.07
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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