CAS RN: 144876-14-2
1,3-Benzenedicarboxaldehyde, 5-hydroxy- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250821 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS144876-14-2
- Purity/Analytical Methods: >99.0%
144876-14-2 / 5-hydroxybenzene-1,3-dicarbaldehyde
Basic Information
CAS
144876-14-2
Multi CAS
No
Molecular Formula
C8H6O3
Molecular Weight
150.130000
Exact Mass
150.031694
SMILES
C1=C(C=C(C=C1C=O)O)C=O
InChI
InChI=1S/C8H6O3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-5,11H
InChIKey
DGXGWECICDYSEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.88
TPSA
54.37
LogP / Solubility
WLOGP
1.02
MLOGP
0.89
XLogP3
0.5
Consensus LogP
0.8
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.91
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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