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CAS 53173-70-9 3-DifluoroMethoxy-4-hydroxybenzaldehyde molecular structure lightbox
CAS RN: 53173-70-9

3-DifluoroMethoxy-4-hydroxybenzaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 100mg In stock Shanghai Inquiry
  • Product code: SSC-160377
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 53173-70-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

53173-70-9 / 3-(difluoromethoxy)-4-hydroxybenzaldehyde

Standard CAS: 53173-70-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53173-70-9
Multi CAS
No
Molecular Formula
C8F2H6O3
Molecular Weight
188.130000
Exact Mass
188.028500
InChI
InChI=1S/C8H6F2O3/c9-8(10)13-7-3-5(4-11)1-2-6(7)12/h1-4,8,12H
InChIKey
BQWJKJOZIXNRID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.13
TPSA
46.53

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
2.2
Consensus LogP
1.87
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.59

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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