CAS RN: 17090-71-0

2-(2-furyl)-2-oxo-acetaldehyde

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251023 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250119 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20260503 1g Out of stock Inquiry
Batchno.20250401 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260523 5g In stock Wuhan Inquiry
  • Product code: starshine_CAS17090-71-0
  • Purity/Analytical Methods: >99.0%
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17090-71-0 / 2-(furan-2-yl)-2-oxoacetaldehyde

Standard CAS: 17090-71-0 Multi CAS: No

Basic Information

CAS
17090-71-0
Multi CAS
No
Molecular Formula
C6H4O3
Molecular Weight
124.090000
Exact Mass
124.016044
SMILES
C1=COC(=C1)C(=O)C=O
InChI
InChI=1S/C6H4O3/c7-4-5(8)6-2-1-3-9-6/h1-4H
InChIKey
LPLMJMMVZNCODI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
29.1
TPSA
47.28

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.4
Consensus LogP
0.54
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.01

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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