![CAS 905973-89-9 2,2-DIPHENYL-N-(2,2,2-TRICHLORO-1-[3-(4-FLUORO-3-NITROPHENYL)THIOUREIDO]ETHYL)ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/905973-89-9.gif)
CAS RN: 905973-89-9
2,2-DIPHENYL-N-(2,2,2-TRICHLORO-1-[3-(4-FLUORO-3-NITROPHENYL)THIOUREIDO]ETHYL)ACETAMIDE
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250831 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250517 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250622 | 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20251028 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250826 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260130 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260124 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-203156
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 | Shenzhen | Inquiry |
905973-89-9 / 2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamide
Basic Information
CAS
905973-89-9
Multi CAS
Yes
Molecular Formula
C23H18CL3FN4O3S
Molecular Weight
555.800000
Exact Mass
554.014923
InChI
InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)
InChIKey
HLCDNLNLQNYZTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
139.36
TPSA
96.3
LogP / Solubility
WLOGP
5.66
MLOGP
5.03
XLogP3
6.1
Consensus LogP
5.6
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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