CAS RN: 205242-66-6
(S)-4-benzyl-2-((benzyloxy)Methyl)Morpholine
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.20251118 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS205242-66-6
- Purity/Analytical Methods: >99.0%
205242-66-6 / (2S)-4-benzyl-2-(phenylmethoxymethyl)morpholine
Basic Information
CAS
205242-66-6
Multi CAS
No
Molecular Formula
C19H23NO2
Molecular Weight
297.400000
Exact Mass
297.172879
SMILES
C1CO[C@@H](CN1CC2=CC=CC=C2)COCC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2/c1-3-7-17(8-4-1)13-20-11-12-22-19(14-20)16-21-15-18-9-5-2-6-10-18/h1-10,19H,11-16H2/t19-/m0/s1
InChIKey
YIUOMOUSMWDPKQ-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
87.56
TPSA
21.7
LogP / Solubility
WLOGP
3.1
MLOGP
2.74
XLogP3
2.8
Consensus LogP
2.88
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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