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CAS 530141-41-4 2-BROMO-4-FLUOROBENZYLPHTHALIMIDE molecular structure lightbox
CAS RN: 530141-41-4

2-BROMO-4-FLUOROBENZYLPHTHALIMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS530141-41-4
  • Purity/Analytical Methods: >99.0%
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530141-41-4 / 2-[(2-bromo-4-fluorophenyl)methyl]isoindole-1,3-dione

Standard CAS: 530141-41-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
530141-41-4
Multi CAS
Yes
Molecular Formula
BC15H9NO2Rf
Molecular Weight
334.140000
Exact Mass
332.980070
InChI
InChI=1S/C15H9BrFNO2/c16-13-7-10(17)6-5-9(13)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKey
ROFPXFUAWBMCST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
74.75
TPSA
37.38

LogP / Solubility

WLOGP
3.38
MLOGP
2.99
XLogP3
3.2
Consensus LogP
3.19
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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