CAS RN: 5084-45-7
6-Formylnaphthalene-2-carboxylic 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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251210 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS5084-45-7
- Purity/Analytical Methods: >99.0%
5084-45-7 / 6-formylnaphthalene-2-carboxylic acid
Basic Information
CAS
5084-45-7
Multi CAS
No
Molecular Formula
C12H8O3
Molecular Weight
200.190000
Exact Mass
200.047344
InChI
InChI=1S/C12H8O3/c13-7-8-1-2-10-6-11(12(14)15)4-3-9(10)5-8/h1-7H,(H,14,15)
InChIKey
SHFLOIUZUDNHFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.29
TPSA
54.37
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.37
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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