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CAS 2050948-14-4 9H-Fluoren-2-amine, 3-bromo-9,9-dimethyl- molecular structure lightbox
CAS RN: 2050948-14-4

9H-Fluoren-2-amine, 3-bromo-9,9-dimethyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2050948-14-4
  • Purity/Analytical Methods: >99.0%
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2050948-14-4 / 3-bromo-9,9-dimethylfluoren-2-amine

Standard CAS: 2050948-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2050948-14-4
Multi CAS
No
Molecular Formula
C15H14BrN
Molecular Weight
288.180000
Exact Mass
287.030960
SMILES
CC1(C2=CC=CC=C2C3=CC(=C(C=C31)N)Br)C
InChI
InChI=1S/C15H14BrN/c1-15(2)11-6-4-3-5-9(11)10-7-13(16)14(17)8-12(10)15/h3-8H,17H2,1-2H3
InChIKey
POYDHRXTCKEBHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
76.12
TPSA
26.02

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
4.4
Consensus LogP
4.19
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

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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