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CAS 22868-59-3 5-DIETHYLAMINO-FURAN-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 22868-59-3

5-DIETHYLAMINO-FURAN-2-CARBALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-111240
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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: ≥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 22868-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

22868-59-3 / 5-(diethylamino)furan-2-carbaldehyde

Standard CAS: 22868-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22868-59-3
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
CCN(CC)C1=CC=C(O1)C=O
InChI
InChI=1S/C9H13NO2/c1-3-10(4-2)9-6-5-8(7-11)12-9/h5-7H,3-4H2,1-2H3
InChIKey
CSLVNCXGGVYESC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
47.66
TPSA
33.45

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.36

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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