![CAS 1289514-24-4 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1289514-24-4.gif)
CAS RN: 1289514-24-4
N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]-Thiourea
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.20251115 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-036159
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 | Beijing | Inquiry |
1289514-24-4 / 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-piperidin-1-ylcyclohexyl]thiourea
Basic Information
CAS
1289514-24-4
Multi CAS
No
Molecular Formula
C20H25F6N3S
Molecular Weight
453.500000
Exact Mass
453.167338
SMILES
C1CCN(CC1)[C@@H]2CCCC[C@H]2NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H25F6N3S/c21-19(22,23)13-10-14(20(24,25)26)12-15(11-13)27-18(30)28-16-6-2-3-7-17(16)29-8-4-1-5-9-29/h10-12,16-17H,1-9H2,(H2,27,28,30)/t16-,17-/m1/s1
InChIKey
JPNIOHVSKNMMJH-IAGOWNOFSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
107.27
TPSA
27.3
LogP / Solubility
WLOGP
5.81
MLOGP
5.14
XLogP3
5.5
Consensus LogP
5.48
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.36
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
3.5
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