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CAS 887584-91-0 3,4-Difluoro-5-hydroxybenzaldehyde molecular structure lightbox
CAS RN: 887584-91-0

3,4-Difluoro-5-hydroxybenzaldehyde

  • Product code: SSC-200371
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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: 1g
  • Available purity: ＞97%
  • 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 887584-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

887584-91-0 / 3,4-difluoro-5-hydroxybenzaldehyde

Standard CAS: 887584-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887584-91-0
Multi CAS
No
Molecular Formula
C7F2H4O2
Molecular Weight
158.100000
Exact Mass
158.017936
InChI
InChI=1S/C7H4F2O2/c8-5-1-4(3-10)2-6(11)7(5)9/h1-3,11H
InChIKey
AHLQVIZDRGIKHH-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
1.2
Consensus LogP
1.33
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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