CAS RN: 2377871-78-6
1,4-Benzenedicarboxaldehyde, 2,5-bis(2-propen-1-yloxy)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250126 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2377871-78-6
- Purity/Analytical Methods: >99.0%
2377871-78-6 / 2,5-bis(prop-2-enoxy)terephthalaldehyde
Basic Information
CAS
2377871-78-6
Multi CAS
No
Molecular Formula
C14H14O4
Molecular Weight
246.260000
Exact Mass
246.089209
SMILES
C=CCOC1=CC(=C(C=C1C=O)OCC=C)C=O
InChI
InChI=1S/C14H14O4/c1-3-5-17-13-7-12(10-16)14(18-6-4-2)8-11(13)9-15/h3-4,7-10H,1-2,5-6H2
InChIKey
NRYULNKKQYDZKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
68.6
TPSA
52.6
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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