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CAS 84562-48-1 4-DIMETHYLAMINO-2-METHOXYBENZALDEHYDE molecular structure lightbox
CAS RN: 84562-48-1

4-DIMETHYLAMINO-2-METHOXYBENZALDEHYDE

  • Product code: SSC-192098
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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: 5g
  • 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 84562-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

84562-48-1 / 4-(dimethylamino)-2-methoxybenzaldehyde

Standard CAS: 84562-48-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84562-48-1
Multi CAS
Yes
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
InChI
InChI=1S/C10H13NO2/c1-11(2)9-5-4-8(7-12)10(6-9)13-3/h4-7H,1-3H3
InChIKey
HGDRXADJVGVGBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
52.71
TPSA
29.54

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.7
Consensus LogP
1.55
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.7

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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