CAS RN: 5159-60-4
6-Cyano-2-naphthoic acid
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.20250726 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5159-60-4
- Purity/Analytical Methods: >99.0%
5159-60-4 / 6-cyanonaphthalene-2-carboxylic acid
Basic Information
CAS
5159-60-4
Multi CAS
No
Molecular Formula
C12H7NO2
Molecular Weight
197.190000
Exact Mass
197.047678
InChI
InChI=1S/C12H7NO2/c13-7-8-1-2-10-6-11(12(14)15)4-3-9(10)5-8/h1-6H,(H,14,15)
InChIKey
OZXBANYHKBTOIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.62
TPSA
61.09
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
3
Consensus LogP
2.51
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.21
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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