Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
189138-28-1 / 2-amino-2-(4-fluorophenyl)acetamide
Basic Information
CAS
189138-28-1
Multi CAS
No
Molecular Formula
C8H9FN2O
Molecular Weight
168.170000
Exact Mass
168.069891
SMILES
C1=CC(=CC=C1C(C(=O)N)N)F
InChI
InChI=1S/C8H9FN2O/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H2,11,12)
InChIKey
CMFSFITWLXHVOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.52
TPSA
69.11
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
Consensus LogP
0.19
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-3.53
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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- CAS RN: 189181-53-1
- Product Code: SSC-088296
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