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CAS 1464824-90-5 9H-Carbazole, 9-(7-bromo-9,9-diphenyl-9H-fluoren-2-yl)- molecular structure lightbox
CAS RN: 1464824-90-5

9H-Carbazole, 9-(7-bromo-9,9-diphenyl-9H-fluoren-2-yl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251202 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1464824-90-5
  • Purity/Analytical Methods: >99.0%
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1464824-90-5 / 9-(7-bromo-9,9-diphenylfluoren-2-yl)carbazole

Standard CAS: 1464824-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1464824-90-5
Multi CAS
No
Molecular Formula
C37H24BrN
Molecular Weight
562.500000
Exact Mass
561.109210
SMILES
C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)N4C5=CC=CC=C5C6=CC=CC=C64)C7=C2C=C(C=C7)Br)C8=CC=CC=C8
InChI
InChI=1S/C37H24BrN/c38-27-19-21-29-30-22-20-28(39-35-17-9-7-15-31(35)32-16-8-10-18-36(32)39)24-34(30)37(33(29)23-27,25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-24H
InChIKey
AKXQSJCSSULDAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
37
Fraction Csp3
0.03
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
165.78
TPSA
4.93

LogP / Solubility

WLOGP
9.91
MLOGP
8.76
XLogP3
10.4
Consensus LogP
9.69
Log S (ESOL)
-10.07
Class (ESOL)
Insoluble
Log S (Ali)
-11.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.9
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.88

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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