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CAS 28320-33-4 2-bromo-7-nitro-9,9-dimethyl-9H-fluorene molecular structure lightbox
CAS RN: 28320-33-4

2-bromo-7-nitro-9,9-dimethyl-9H-fluorene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS28320-33-4
  • Purity/Analytical Methods: >99.0%
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28320-33-4 / 2-bromo-9,9-dimethyl-7-nitrofluorene

Standard CAS: 28320-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28320-33-4
Multi CAS
No
Molecular Formula
C15H12BrNO2
Molecular Weight
318.160000
Exact Mass
317.005140
InChI
InChI=1S/C15H12BrNO2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17(18)19)8-14(12)15/h3-8H,1-2H3
InChIKey
FGCLDUHOOBABTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
78.36
TPSA
43.14

LogP / Solubility

WLOGP
4.66
MLOGP
4.12
XLogP3
4.9
Consensus LogP
4.56
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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