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CAS 883554-70-9 4-[Bis(9,9-dimethylfluoren-2-yl)amino]azobenzene molecular structure lightbox
CAS RN: 883554-70-9

4-[Bis(9,9-dimethylfluoren-2-yl)amino]azobenzene

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 100mg In stock Inquiry
Batchno.20260620 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: ICTB4796
  • Purity/Analytical Methods: >98.0%(HPLC)
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883554-70-9 / N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenyldiazenylphenyl)fluoren-2-amine

Standard CAS: 883554-70-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
883554-70-9
Multi CAS
Yes
Molecular Formula
C42H35N3
Molecular Weight
581.700000
Exact Mass
581.283098
InChI
InChI=1S/C42H35N3/c1-41(2)37-16-10-8-14-33(37)35-24-22-31(26-39(35)41)45(30-20-18-29(19-21-30)44-43-28-12-6-5-7-13-28)32-23-25-36-34-15-9-11-17-38(34)42(3,4)40(36)27-32/h5-27H,1-4H3
InChIKey
XIVVSHQOQWKLRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
36
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
186.87
TPSA
27.96

LogP / Solubility

WLOGP
12.18
MLOGP
10.77
XLogP3
11.9
Consensus LogP
11.62
Log S (ESOL)
-11.39
Class (ESOL)
Insoluble
Log S (Ali)
-13.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.15
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)
2.38

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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