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CAS 256417-10-4 2,6-Difluoro-4-methoxybenzaldehyde molecular structure lightbox
CAS RN: 256417-10-4

2,6-Difluoro-4-methoxybenzaldehyde

  • Product code: SSC-121821
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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, 1g, 25g, 10g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 256417-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 3 In Stock Hong Kong Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
25g ≥98% 1 In Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

256417-10-4 / 2,6-difluoro-4-methoxybenzaldehyde

Standard CAS: 256417-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
256417-10-4
Multi CAS
No
Molecular Formula
C8H6F2O2
Molecular Weight
172.130000
Exact Mass
172.033586
SMILES
COC1=CC(=C(C(=C1)F)C=O)F
InChI
InChI=1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3
InChIKey
ZYABCGOTMDPUDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.3
TPSA
26.3

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.5

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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