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CAS 99585-64-5 2-BROMO-4′-CHLOROBENZOPHENONE molecular structure lightbox
CAS RN: 99585-64-5

2-BROMO-4′-CHLOROBENZOPHENONE

  • Product code: SSC-213257
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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 99585-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

99585-64-5 / (2-bromophenyl)-(4-chlorophenyl)methanone

Standard CAS: 99585-64-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99585-64-5
Multi CAS
Yes
Molecular Formula
C13H8BRCLO
Molecular Weight
295.560000
Exact Mass
293.944710
InChI
InChI=1S/C13H8BrClO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H
InChIKey
XKGHDXSJCFWPNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
69.03
TPSA
17.07

LogP / Solubility

WLOGP
4.33
MLOGP
3.82
XLogP3
4.6
Consensus LogP
4.25
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

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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