CAS RN: 128-97-2
1,4,5,8-Naphthalenetetracarboxylic Acid (contains Monoanhydride)
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 100g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20250104 | 1g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20250712 | 25g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20250527 | 500g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260212 | 5g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: ICTN0770
- Purity/Analytical Methods: >60.0%(NMR)
128-97-2 / naphthalene-1,4,5,8-tetracarboxylic acid
Basic Information
CAS
128-97-2
Multi CAS
No
Molecular Formula
C14H8O8
Molecular Weight
304.210000
Exact Mass
304.021917
SMILES
C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey
OLAPPGSPBNVTRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
71.79
TPSA
149.2
LogP / Solubility
WLOGP
1.63
MLOGP
1.45
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (21.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501
