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CAS 1157395-92-0 (4-Bromo-2-chlorophenyl)(4-chlorophenyl)methanone molecular structure lightbox
CAS RN: 1157395-92-0

(4-Bromo-2-chlorophenyl)(4-chlorophenyl)methanone

  • Product code: SSC-015497
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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: 5g
  • 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 1157395-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1157395-92-0 / (4-bromo-2-chlorophenyl)-(4-chlorophenyl)methanone

(4-Bromo-2-chlorophenyl)(4-chlorophenyl)methanone | MFCD12065414 | Methanone, (4-bromo-2-chlorophenyl)(4-chlorophenyl)-

Standard CAS: 1157395-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1157395-92-0
Multi CAS
No
Molecular Formula
C13H7BrCl2O
Molecular Weight
330.000000
Exact Mass
327.905730
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)Br)Cl)Cl
InChI
InChI=1S/C13H7BrCl2O/c14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8/h1-7H
InChIKey
DAEJGWZRHUCBFS-UHFFFAOYSA-N
Synonyms
(4-Bromo-2-chlorophenyl)(4-chlorophenyl)methanone MFCD12065414 Methanone, (4-bromo-2-chlorophenyl)(4-chlorophenyl)- DTXSID90656358 AC3041

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
74.04
TPSA
17.07

LogP / Solubility

WLOGP
4.99
MLOGP
4.4
XLogP3
5.2
Consensus LogP
4.86
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

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)
-1.19

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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