[email protected]
CAS 2226650-44-6 (2-Bromo-4-methylphenyl)(2-chloro-4-fluorophenyl)methanone molecular structure lightbox
CAS RN: 2226650-44-6

(2-Bromo-4-methylphenyl)(2-chloro-4-fluorophenyl)methanone

  • Product code: SSC-107337
GET A QUOTE
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, 10g, 0.25g, 5g, 0.1g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2226650-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
25g ≥95% 1 In Stock Shenzhen Inquiry

2226650-44-6 / (2-bromo-4-methylphenyl)-(2-chloro-4-fluorophenyl)methanone

Standard CAS: 2226650-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2226650-44-6
Multi CAS
No
Molecular Formula
C14H9BrClFO
Molecular Weight
327.570000
Exact Mass
325.950930
SMILES
CC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)F)Cl)Br
InChI
InChI=1S/C14H9BrClFO/c1-8-2-4-10(12(15)6-8)14(18)11-5-3-9(17)7-13(11)16/h2-7H,1H3
InChIKey
BRTRNPPJQWXXIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
73.72
TPSA
17.07

LogP / Solubility

WLOGP
4.78
MLOGP
4.22
XLogP3
5
Consensus LogP
4.67
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
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)
-1.32

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us