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CAS 2069-41-2 4-bromo-4′-fluorobenzophenone molecular structure lightbox
CAS RN: 2069-41-2

4-bromo-4′-fluorobenzophenone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 250mg / 1g / 5g / 25g Out of stock 15 business days Inquiry
  • Product code: SSC-097430
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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: ＞97%
  • 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 2069-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2069-41-2 / (4-bromophenyl)-(4-fluorophenyl)methanone

Standard CAS: 2069-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2069-41-2
Multi CAS
No
Molecular Formula
C13H8BrFO
Molecular Weight
279.100000
Exact Mass
277.974260
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C13H8BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
SSXSFTBOKUQUAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
63.97
TPSA
17.07

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
4.4
Consensus LogP
3.86
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-1.71

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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