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CAS 1160653-95-1 3-bromo-2-fluoro-6-hydroxybenzaldehyde molecular structure lightbox
CAS RN: 1160653-95-1

3-bromo-2-fluoro-6-hydroxybenzaldehyde

  • Product code: SSC-016185
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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: >95%
  • 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 1160653-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry

1160653-95-1 / 3-bromo-2-fluoro-6-hydroxybenzaldehyde

3-Bromo-2-fluoro-6-hydroxybenzaldehyde | 3-bromo-2-fluoro-6-hydroxy-benzaldehyde | MFCD15528068

Standard CAS: 1160653-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160653-95-1
Multi CAS
No
Molecular Formula
C7H4BrFO2
Molecular Weight
219.010000
Exact Mass
217.937870
SMILES
C1=CC(=C(C(=C1O)C=O)F)Br
InChI
InChI=1S/C7H4BrFO2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-3,11H
InChIKey
FCZNTUDWVQSVHC-UHFFFAOYSA-N
Synonyms
3-Bromo-2-fluoro-6-hydroxybenzaldehyde 3-bromo-2-fluoro-6-hydroxy-benzaldehyde MFCD15528068 SCHEMBL276448 5-Bromo-6-fluorosalicylaldehyde

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.15
TPSA
37.3

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.56

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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