CAS RN: 330-94-9
4-(4-FLUOROPHENYL)-3-THIOSEMICARBAZIDE
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.20260607 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS330-94-9
- Purity/Analytical Methods: >99.0%
330-94-9 / 1-amino-3-(4-fluorophenyl)thiourea
Basic Information
CAS
330-94-9
Multi CAS
Yes
Molecular Formula
C7FH8N3S
Molecular Weight
185.220000
Exact Mass
185.042297
InChI
InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKey
HDQJJEUAWXLNCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
49.94
TPSA
50.08
LogP / Solubility
WLOGP
0.99
MLOGP
0.87
XLogP3
0.9
Consensus LogP
0.92
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.15
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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