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CAS 3824-74-6 1,3-BIS-(ALPHA,ALPHA,ALPHA,ALPHAPR,ALPHAPR,ALPHAPR-HEXAFLUORO-3,5-XYLYL)-UREA molecular structure lightbox
CAS RN: 3824-74-6

1,3-BIS-(ALPHA,ALPHA,ALPHA,ALPHAPR,ALPHAPR,ALPHAPR-HEXAFLUORO-3,5-XYLYL)-UREA

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251118 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250404 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250522 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS3824-74-6
  • Purity/Analytical Methods: >99.0%
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3824-74-6 / 1,3-bis[3,5-bis(trifluoromethyl)phenyl]urea

Standard CAS: 3824-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3824-74-6
Multi CAS
No
Molecular Formula
C17F12H8N2O
Molecular Weight
484.240000
Exact Mass
484.044501
InChI
InChI=1S/C17H8F12N2O/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)30-13(32)31-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29/h1-6H,(H2,30,31,32)
InChIKey
YGCOMBKZFUMALE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
85.53
TPSA
41.13

LogP / Solubility

WLOGP
7.41
MLOGP
6.55
XLogP3
6
Consensus LogP
6.65
Log S (ESOL)
-7.65
Class (ESOL)
Insoluble
Log S (Ali)
-8.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.19
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)
-0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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