CAS RN: 1213512-87-8
(3S)-3-(4-FLUOROPHENYL)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.20250126 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1213512-87-8
- Purity/Analytical Methods: >99.0%
1213512-87-8 / (3S)-3-(4-fluorophenyl)morpholine
3-(4-fluorophenyl)morpholine | RefChem:493096 | 819-879-4
Basic Information
CAS
1213512-87-8
Multi CAS
Yes
Molecular Formula
C10H12FNO
Molecular Weight
181.210000
Exact Mass
181.090292
SMILES
C1COC[C@@H](N1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FNO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2/t10-/m1/s1
InChIKey
VURZDWDKDQRYTJ-SNVBAGLBSA-N
Synonyms
3-(4-fluorophenyl)morpholine
RefChem:493096
819-879-4
SCHEMBL18387
3-(4-fluorophenyl) morpholine
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.96
TPSA
21.26
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.1
Consensus LogP
1.3
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.77
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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