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CAS 254892-91-6 3-(4-bromophenyl)cyclobutanone molecular structure lightbox
CAS RN: 254892-91-6

3-(4-bromophenyl)cyclobutanone

  • Product code: SSC-121466
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g, 5g, 10g, 25g, 1000g
  • Available purity: 98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 254892-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g 98% 5 In Stock Hong Kong Inquiry
0.25g -- 4 In Stock Shenzhen Inquiry
0.25g 98% 4 In Stock Shanghai Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g 98% 2 In Stock Hong Kong Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g 98% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g 98% 0 Out of Stock Shanghai Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry
25g 98% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

254892-91-6 / 3-(4-bromophenyl)cyclobutan-1-one

Standard CAS: 254892-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254892-91-6
Multi CAS
No
Molecular Formula
C10H9BrO
Molecular Weight
225.080000
Exact Mass
223.983680
SMILES
C1C(CC1=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2
InChIKey
FOQRHYVNXUDNKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.12
TPSA
17.07

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
2.1
Consensus LogP
2.52
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

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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