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CAS 1248348-67-5 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]-Thiourea molecular structure lightbox
CAS RN: 1248348-67-5

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

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 250mg In stock Inquiry
Batchno.20250718 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-029097
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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 1248348-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1248348-67-5 / 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]thiourea

Standard CAS: 1248348-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1248348-67-5
Multi CAS
No
Molecular Formula
C19H23F6N3S
Molecular Weight
439.500000
Exact Mass
439.151688
SMILES
C1CC[C@@H]([C@H](C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCCC3
InChI
InChI=1S/C19H23F6N3S/c20-18(21,22)12-9-13(19(23,24)25)11-14(10-12)26-17(29)27-15-5-1-2-6-16(15)28-7-3-4-8-28/h9-11,15-16H,1-8H2,(H2,26,27,29)/t15-,16-/m0/s1
InChIKey
BSICYYMKFDEOFB-HOTGVXAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
102.65
TPSA
27.3

LogP / Solubility

WLOGP
5.42
MLOGP
4.8
XLogP3
5.2
Consensus LogP
5.14
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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