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CAS 1146-98-1 Bromindione molecular structure lightbox
CAS RN: 1146-98-1

Bromindione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 50mg / 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-014310
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1146-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1146-98-1 / 2-(4-bromophenyl)indene-1,3-dione

BROMINDIONE | 2-(p-Bromophenyl)-1,3-indandione | Bromindionum

Standard CAS: 1146-98-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1146-98-1
Multi CAS
No
Molecular Formula
C15H9BrO2
Molecular Weight
301.130000
Exact Mass
299.978590
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H9BrO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChIKey
NPUZIGSOEWMFKK-UHFFFAOYSA-N
Synonyms
BROMINDIONE 2-(p-Bromophenyl)-1,3-indandione Bromindionum Bromindiona 2-(4-Bromophenyl)-1H-indene-1,3(2H)-dione

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
71.99
TPSA
34.14

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
3.6
Consensus LogP
3.47
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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