CAS RN: 16303-60-9
5-(furan-2-yl)furan-2-carbaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS16303-60-9
- Purity/Analytical Methods: >99.0%
16303-60-9 / 5-(furan-2-yl)furan-2-carbaldehyde
Basic Information
CAS
16303-60-9
Multi CAS
No
Molecular Formula
C9H6O3
Molecular Weight
162.140000
Exact Mass
162.031694
SMILES
C1=COC(=C1)C2=CC=C(O2)C=O
InChI
InChI=1S/C9H6O3/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
InChIKey
FAGYPMBOOVLXAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.8
TPSA
43.35
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
1.5
Consensus LogP
1.97
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
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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