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CAS 58922-29-5 2,4-dihydroxy-3-methoxybenzaldehyde molecular structure lightbox
CAS RN: 58922-29-5

2,4-dihydroxy-3-methoxybenzaldehyde

  • Product code: SSC-167292
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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 58922-29-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

58922-29-5 / 2,4-dihydroxy-3-methoxybenzaldehyde

Standard CAS: 58922-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58922-29-5
Multi CAS
No
Molecular Formula
C8H8O4
Molecular Weight
168.150000
Exact Mass
168.042259
InChI
InChI=1S/C8H8O4/c1-12-8-6(10)3-2-5(4-9)7(8)11/h2-4,10-11H,1H3
InChIKey
HOFPWODHZJNTBF-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
4
H-bond donors
2
Molar refractivity
41.71
TPSA
66.76

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.09

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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