CAS RN: 688753-79-9
2,7-Naphthalenedicarboxaldehyde, 1,8-dihydroxy- (9CI)
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.20250314 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS688753-79-9
- Purity/Analytical Methods: >99.0%
688753-79-9 / 1,8-dihydroxynaphthalene-2,7-dicarbaldehyde
Basic Information
CAS
688753-79-9
Multi CAS
No
Molecular Formula
C12H8O4
Molecular Weight
216.190000
Exact Mass
216.042259
InChI
InChI=1S/C12H8O4/c13-5-8-3-1-7-2-4-9(6-14)12(16)10(7)11(8)15/h1-6,15-16H
InChIKey
UDYLQFQXKPHCBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.05
TPSA
74.6
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.71
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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