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CAS 1781052-25-2 5-BroMo-4-chloro-2-fluoro-benzaldehyde molecular structure lightbox
CAS RN: 1781052-25-2

5-BroMo-4-chloro-2-fluoro-benzaldehyde

  • Product code: SSC-078291
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1781052-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Beijing Inquiry

1781052-25-2 / 5-bromo-4-chloro-2-fluorobenzaldehyde

Standard CAS: 1781052-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1781052-25-2
Multi CAS
No
Molecular Formula
C7H3BrClFO
Molecular Weight
237.450000
Exact Mass
235.903980
SMILES
C1=C(C(=CC(=C1Br)Cl)F)C=O
InChI
InChI=1S/C7H3BrClFO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-3H
InChIKey
XXIYYWQCGYDEFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.5
TPSA
17.07

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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

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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