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CAS 25090-33-9 3,4-DIHYDRO-2H-PYRAN-5-CARBALDEHYDE molecular structure lightbox
CAS RN: 25090-33-9

3,4-DIHYDRO-2H-PYRAN-5-CARBALDEHYDE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250917 100mg In stock Shanghai Inquiry
Batchno.20260103 1g In stock Shanghai Inquiry
Batchno.20260629 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250513 25g Out of stock Inquiry
Batchno.20250221 5g In stock Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS25090-33-9
  • Purity/Analytical Methods: >99.0%
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25090-33-9 / 3,6-dihydro-2H-pyran-5-carbaldehyde

Standard CAS: 25090-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25090-33-9
Multi CAS
No
Molecular Formula
C6H8O2
Molecular Weight
112.130000
Exact Mass
112.052429
SMILES
C1COCC(=C1)C=O
InChI
InChI=1S/C6H8O2/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2
InChIKey
RKXCKEHBMLDWET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
29.58
TPSA
26.3

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
Consensus LogP
0.33
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.03

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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