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CAS 251300-30-8 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde molecular structure lightbox
CAS RN: 251300-30-8

5-Bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde

  • Product code: SSC-120721
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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, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 251300-30-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry

251300-30-8 / 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde

Standard CAS: 251300-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
251300-30-8
Multi CAS
No
Molecular Formula
C8H4BrF3O2
Molecular Weight
269.010000
Exact Mass
267.934680
SMILES
C1=C(C=C(C(=C1C=O)O)C(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3O2/c9-5-1-4(3-13)7(14)6(2-5)8(10,11)12/h1-3,14H
InChIKey
NCOPDQCEVBJGNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.2
TPSA
37.3

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
3.2
Consensus LogP
2.94
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.24

Drug-likeness / Medicinal Chemistry

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

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