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CAS 313050-71-4 4-Bromo-N,N-bis(9,9-dimethyl-9H-fluoren-2-yl)aniline molecular structure lightbox
CAS RN: 313050-71-4

4-Bromo-N,N-bis(9,9-dimethyl-9H-fluoren-2-yl)aniline

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 1g In stock Inquiry
Batchno.20250220 250mg In stock Inquiry
Batchno.20250126 25g In stock Inquiry
Batchno.20250109 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 200mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTB5142
  • Purity/Analytical Methods: >97.0%(GC)
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313050-71-4 / N-(4-bromophenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

Standard CAS: 313050-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
313050-71-4
Multi CAS
No
Molecular Formula
BC36H30Rn
Molecular Weight
556.500000
Exact Mass
555.156160
InChI
InChI=1S/C36H30BrN/c1-35(2)31-11-7-5-9-27(31)29-19-17-25(21-33(29)35)38(24-15-13-23(37)14-16-24)26-18-20-30-28-10-6-8-12-32(28)36(3,4)34(30)22-26/h5-22H,1-4H3
InChIKey
MNEGWIHTGPUATA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
30
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
163.95
TPSA
3.24

LogP / Solubility

WLOGP
10.53
MLOGP
9.31
XLogP3
10.9
Consensus LogP
10.25
Log S (ESOL)
-10.31
Class (ESOL)
Insoluble
Log S (Ali)
-11.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.38
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)
1.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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