![CAS 871828-95-4 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871828-95-4.gif)
CAS RN: 871828-95-4
N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250106 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250903 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250221 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250914 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260626 | 5g | Out of stock | Inquiry |
- Product code: SSC-196853
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
871828-95-4 / 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea
Basic Information
CAS
871828-95-4
Multi CAS
Yes
Molecular Formula
C18F6H14N2OS
Molecular Weight
420.400000
Exact Mass
420.073103
InChI
InChI=1S/C18H14F6N2OS/c19-17(20,21)10-6-11(18(22,23)24)8-12(7-10)25-16(28)26-15-13-4-2-1-3-9(13)5-14(15)27/h1-4,6-8,14-15,27H,5H2,(H2,25,26,28)/t14-,15+/m0/s1
InChIKey
SUSUBFXIXQAEHC-LSDHHAIUSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
94.7
TPSA
44.29
LogP / Solubility
WLOGP
4.67
MLOGP
4.14
XLogP3
4.2
Consensus LogP
4.34
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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