CAS RN: 120800-91-1
(S)-4-benzyl-3-MethylMorpholine
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.20250221 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS120800-91-1
- Purity/Analytical Methods: >99.0%
120800-91-1 / (3S)-4-benzyl-3-methylmorpholine
(S)-4-Benzyl-3-methylmorpholine | (3S)-4-BENZYL-3-METHYLMORPHOLINE | SCHEMBL1189298
Basic Information
CAS
120800-91-1
Multi CAS
Yes
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
SMILES
C[C@H]1COCCN1CC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m0/s1
InChIKey
GXNBKAFYCHTQPI-NSHDSACASA-N
Synonyms
(S)-4-Benzyl-3-methylmorpholine
(3S)-4-BENZYL-3-METHYLMORPHOLINE
SCHEMBL1189298
DTXSID90477282
GXNBKAFYCHTQPI-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.13
TPSA
12.47
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.53
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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