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CAS 82104-66-3 N-Phenyl-4-bromophthalimide molecular structure lightbox
CAS RN: 82104-66-3

N-Phenyl-4-bromophthalimide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS82104-66-3
  • Purity/Analytical Methods: >99.0%
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82104-66-3 / 5-bromo-2-phenylisoindole-1,3-dione

Standard CAS: 82104-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82104-66-3
Multi CAS
No
Molecular Formula
BC14H8O2Rn
Molecular Weight
302.120000
Exact Mass
300.973840
InChI
InChI=1S/C14H8BrNO2/c15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10/h1-8H
InChIKey
VIDLHMORTSMJKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
71.72
TPSA
37.38

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
3.1
Consensus LogP
3.07
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-2.26

Drug-likeness / Medicinal Chemistry

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

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