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CAS 63954-77-8 3 5-DIFLUOROSALICYLALDEHYDE 97 molecular structure lightbox
CAS RN: 63954-77-8

3 5-DIFLUOROSALICYLALDEHYDE 97

  • Product code: SSC-173742
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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: 5g, 10g, 1g, 25g, 100g
  • Available purity: >98%
  • 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 63954-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Hong Kong Inquiry
1g >98% 2 In Stock Shenzhen Inquiry
25g >98% 2 In Stock Shanghai Inquiry
100g >98% 0 Out of Stock Shenzhen Inquiry

63954-77-8 / 3,5-difluoro-2-hydroxybenzaldehyde

Standard CAS: 63954-77-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63954-77-8
Multi CAS
Yes
Molecular Formula
C7F2H4O2
Molecular Weight
158.100000
Exact Mass
158.017936
InChI
InChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
QGSAZWCEHUYVMW-UHFFFAOYSA-N

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
33.41
TPSA
37.3

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.8
Consensus LogP
1.53
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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