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CAS 71144-36-0 3,4-Dihydroxy-6-fluoro-benzaldehyde molecular structure lightbox
CAS RN: 71144-36-0

3,4-Dihydroxy-6-fluoro-benzaldehyde

  • Product code: SSC-180807
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 71144-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 2 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry

71144-36-0 / 2-fluoro-4,5-dihydroxybenzaldehyde

Standard CAS: 71144-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71144-36-0
Multi CAS
No
Molecular Formula
C7FH5O3
Molecular Weight
156.110000
Exact Mass
156.022272
InChI
InChI=1S/C7H5FO3/c8-5-2-7(11)6(10)1-4(5)3-9/h1-3,10-11H
InChIKey
FXDGVLXBUNQEQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.12
TPSA
57.53

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-2.93

Drug-likeness / Medicinal Chemistry

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

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