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CAS 1140969-69-2 N,N’-(1S,2S)-1,2-cyclohexanediyl bis[N’-[3,5-bis(trifluoroMethyl)phenyl)]-Thiourea molecular structure lightbox
CAS RN: 1140969-69-2

N,N’-(1S,2S)-1,2-cyclohexanediyl bis[N’-[3,5-bis(trifluoroMethyl)phenyl)]-Thiourea

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 100mg In stock Shanghai Inquiry
Batchno.20260215 1g In stock Shanghai Inquiry
Batchno.20250314 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013983
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1140969-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1140969-69-2 / 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]cyclohexyl]thiourea

N,N'-(1S,2S)-1,2-Cyclohexanediylbis[N'-[3,5-bis(trifluoromethyl)phenyl]thiourea | Thiourea, N,N''-(1S,2S)-1,2-cyclohexanediylbis[N'-[3,5-bis(trifluoromethyl)phenyl]- | N,N'-(1S,2S)-1,2-Cyclohexanediylbis[N'-[3,5-bis(trifluoromethyl)phenyl]thiourea]

Standard CAS: 1140969-69-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1140969-69-2
Multi CAS
Yes
Molecular Formula
C24H20F12N4S2
Molecular Weight
656.600000
Exact Mass
656.093777
SMILES
C1CC[C@@H]([C@H](C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C24H20F12N4S2/c25-21(26,27)11-5-12(22(28,29)30)8-15(7-11)37-19(41)39-17-3-1-2-4-18(17)40-20(42)38-16-9-13(23(31,32)33)6-14(10-16)24(34,35)36/h5-10,17-18H,1-4H2,(H2,37,39,41)(H2,38,40,42)/t17-,18-/m0/s1
InChIKey
VALSAKIMMYEMHC-ROUUACIJSA-N
Synonyms
N,N'-(1S,2S)-1,2-Cyclohexanediylbis[N'-[3,5-bis(trifluoromethyl)phenyl]thiourea Thiourea, N,N''-(1S,2S)-1,2-cyclohexanediylbis[N'-[3,5-bis(trifluoromethyl)phenyl]- N,N'-(1S,2S)-1,2-Cyclohexanediylbis[N'-[3,5-bis(trifluoromethyl)phenyl]thiourea] 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]cyclohexyl]thiourea C24H20F12N4S2

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
4
Molar refractivity
137.65
TPSA
48.12

LogP / Solubility

WLOGP
8.35
MLOGP
7.4
XLogP3
7.7
Consensus LogP
7.82
Log S (ESOL)
-9.12
Class (ESOL)
Insoluble
Log S (Ali)
-10.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.8

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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