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CAS 620960-27-2 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea molecular structure lightbox
CAS RN: 620960-27-2

N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-171133
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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 620960-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

620960-27-2 / 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(1,3-dihydroisoindol-2-yl)cyclohexyl]thiourea

Standard CAS: 620960-27-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
620960-27-2
Multi CAS
Yes
Molecular Formula
C23F6H23N3S
Molecular Weight
487.500000
Exact Mass
487.151688
InChI
InChI=1S/C23H23F6N3S/c24-22(25,26)16-9-17(23(27,28)29)11-18(10-16)30-21(33)31-19-7-3-4-8-20(19)32-12-14-5-1-2-6-15(14)13-32/h1-2,5-6,9-11,19-20H,3-4,7-8,12-13H2,(H2,30,31,33)/t19-,20-/m1/s1
InChIKey
KIDBBKIWFZMJNT-WOJBJXKFSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
117.54
TPSA
27.3

LogP / Solubility

WLOGP
6.34
MLOGP
5.61
XLogP3
5.7
Consensus LogP
5.88
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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