CAS RN: 5776-28-3
2-Naphthalenecarboxylic acid, 8-hydroxy-
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.20250718 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5776-28-3
- Purity/Analytical Methods: >99.0%
5776-28-3 / 8-hydroxynaphthalene-2-carboxylic acid
Basic Information
CAS
5776-28-3
Multi CAS
No
Molecular Formula
C11H8O3
Molecular Weight
188.180000
Exact Mass
188.047344
InChI
InChI=1S/C11H8O3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6,12H,(H,13,14)
InChIKey
ZPCQQOXOXNMOIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.57
TPSA
57.53
LogP / Solubility
WLOGP
2.24
MLOGP
1.97
XLogP3
1.8
Consensus LogP
2
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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