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CAS 25187-01-3 2,2′-Dibromobenzophenone molecular structure lightbox
CAS RN: 25187-01-3

2,2′-Dibromobenzophenone

  • Product code: SSC-120876
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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 25187-01-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

25187-01-3 / bis(2-bromophenyl)methanone

Standard CAS: 25187-01-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25187-01-3
Multi CAS
No
Molecular Formula
C13H8Br2O
Molecular Weight
340.010000
Exact Mass
339.892140
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2Br)Br
InChI
InChI=1S/C13H8Br2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H
InChIKey
JCVYQVHAGOZGIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
71.72
TPSA
17.07

LogP / Solubility

WLOGP
4.44
MLOGP
3.93
XLogP3
4.6
Consensus LogP
4.32
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

Drug-likeness / Medicinal Chemistry

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

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