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CAS 1349719-24-9 4-Bromo-2-chloro-3-fluoroaniline molecular structure lightbox
CAS RN: 1349719-24-9

4-Bromo-2-chloro-3-fluoroaniline

  • Product code: SSC-042817
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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: 0.1g, 0.25g, 1g, 10g, 25g, 5g
  • Available purity: >95%
  • 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 1349719-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 3 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
1g >95% 3 In Stock Shanghai Inquiry
10g >95% 3 In Stock Hong Kong Inquiry
25g >95% 3 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry

1349719-24-9 / 4-bromo-2-chloro-3-fluoroaniline

Standard CAS: 1349719-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1349719-24-9
Multi CAS
No
Molecular Formula
C6H4BrClFN
Molecular Weight
224.460000
Exact Mass
222.919970
SMILES
C1=CC(=C(C(=C1N)Cl)F)Br
InChI
InChI=1S/C6H4BrClFN/c7-3-1-2-4(10)5(8)6(3)9/h1-2H,10H2
InChIKey
LWXPESLUKLZKEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.52
TPSA
26.02

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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