CAS RN: 1417456-04-2
2-aMino-6-fluoro-N-phenylbenzaMide hydrochloride
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.20250705 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417456-04-2
- Purity/Analytical Methods: >99.0%
1417456-04-2 / 2-amino-6-fluoro-N-phenylbenzamide
Basic Information
CAS
1417456-04-2
Multi CAS
No
Molecular Formula
C13H11FN2O
Molecular Weight
230.240000
Exact Mass
230.085541
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)N
InChI
InChI=1S/C13H11FN2O/c14-10-7-4-8-11(15)12(10)13(17)16-9-5-2-1-3-6-9/h1-8H,15H2,(H,16,17)
InChIKey
UZOTUSBWWZAVQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.21
TPSA
55.12
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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