CAS RN: 179900-22-2
2-Fluoro-6-morpholinoaniline
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.20250903 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS179900-22-2
- Purity/Analytical Methods: >99.0%
179900-22-2 / 2-fluoro-6-morpholin-4-ylaniline
Basic Information
CAS
179900-22-2
Multi CAS
No
Molecular Formula
C10H13FN2O
Molecular Weight
196.220000
Exact Mass
196.101191
SMILES
C1COCCN1C2=C(C(=CC=C2)F)N
InChI
InChI=1S/C10H13FN2O/c11-8-2-1-3-9(10(8)12)13-4-6-14-7-5-13/h1-3H,4-7,12H2
InChIKey
DKJPNLUATRWTLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.84
TPSA
38.49
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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