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CAS 51132-00-4 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione molecular structure lightbox
CAS RN: 51132-00-4

2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-157952
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51132-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 3 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry

51132-00-4 / 2-(4-bromo-3-oxobutyl)isoindole-1,3-dione

Standard CAS: 51132-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51132-00-4
Multi CAS
Yes
Molecular Formula
BC12H10O3Rn
Molecular Weight
296.120000
Exact Mass
294.984410
InChI
InChI=1S/C12H10BrNO3/c13-7-8(15)5-6-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4H,5-7H2
InChIKey
PTPZBCHKQSHXQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
65.23
TPSA
54.45

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.9
Consensus LogP
1.66
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

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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