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CAS 1233369-41-9 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1S,2S)-2-(diMethylaMino)-1,2-diphenylethyl]-Thiourea molecular structure lightbox
CAS RN: 1233369-41-9

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

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 100mg In stock Shanghai Inquiry
Batchno.20260315 1g In stock Shanghai Inquiry
Batchno.20250303 250mg In stock Shanghai Inquiry
  • Product code: SSC-027000
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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: 0.1g
  • Available purity: ＞95%
  • 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 1233369-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shenzhen Inquiry

1233369-41-9 / 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]thiourea

Standard CAS: 1233369-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1233369-41-9
Multi CAS
No
Molecular Formula
C25H23F6N3S
Molecular Weight
511.500000
Exact Mass
511.151688
SMILES
CN(C)[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C25H23F6N3S/c1-34(2)22(17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)33-23(35)32-20-14-18(24(26,27)28)13-19(15-20)25(29,30)31/h3-15,21-22H,1-2H3,(H2,32,33,35)/t21-,22-/m0/s1
InChIKey
KGAOVNMFMGIVJT-VXKWHMMOSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
127.86
TPSA
27.3

LogP / Solubility

WLOGP
7.05
MLOGP
6.25
XLogP3
6.4
Consensus LogP
6.57
Log S (ESOL)
-7.44
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
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)
-0.83

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
3.5

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