CAS RN: 1213513-38-2
(3S)-3-(4-METHYLPHENYL)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.20251015 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1213513-38-2
- Purity/Analytical Methods: >99.0%
1213513-38-2 / (3S)-3-(4-methylphenyl)morpholine
3-(4-methylphenyl)morpholine | 3-(P-tolyl)morpholine | 3-(4-METHYLPHENYL)-MORPHOLINE
Basic Information
CAS
1213513-38-2
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
CC1=CC=C(C=C1)[C@H]2COCCN2
InChI
InChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)11-8-13-7-6-12-11/h2-5,11-12H,6-8H2,1H3/t11-/m1/s1
InChIKey
GVJDPIFKBRDIKX-LLVKDONJSA-N
Synonyms
3-(4-methylphenyl)morpholine
3-(P-tolyl)morpholine
3-(4-METHYLPHENYL)-MORPHOLINE
SCHEMBL4972612
SCHEMBL5545595
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.74
TPSA
21.26
LogP / Solubility
WLOGP
1.66
MLOGP
1.45
XLogP3
1.3
Consensus LogP
1.47
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.63
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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