CAS RN: 1263179-29-8
(2-AMINO-6-FLUOROPHENYL)DIMETHYLPHOSPHINE OXIDE
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251116 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250607 | 1g | Out of stock | Inquiry | ||
| Batchno.20260314 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260422 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260404 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1263179-29-8
- Purity/Analytical Methods: >99.0%
1263179-29-8 / 2-dimethylphosphoryl-3-fluoroaniline
Basic Information
CAS
1263179-29-8
Multi CAS
No
Molecular Formula
C8H11FNOP
Molecular Weight
187.150000
Exact Mass
187.056229
SMILES
CP(=O)(C)C1=C(C=CC=C1F)N
InChI
InChI=1S/C8H11FNOP/c1-12(2,11)8-6(9)4-3-5-7(8)10/h3-5H,10H2,1-2H3
InChIKey
NREJOFDHMPCKAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.9
TPSA
43.09
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
0.9
Consensus LogP
1.34
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.69
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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