CAS RN: 1581-13-1
2-AMINO-2′-FLUOROBENZOPHENONE
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.20251203 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1581-13-1
- Purity/Analytical Methods: >99.0%
1581-13-1 / (2-aminophenyl)-(2-fluorophenyl)methanone
Basic Information
CAS
1581-13-1
Multi CAS
No
Molecular Formula
C13H10FNO
Molecular Weight
215.220000
Exact Mass
215.074642
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2F)N
InChI
InChI=1S/C13H10FNO/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H,15H2
InChIKey
NRAJMXHXQHCBHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.69
TPSA
43.09
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
3.2
Consensus LogP
2.72
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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