CAS RN: 4488-43-1
5-Acenaphthylenecarboxylic acid
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.20250521 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4488-43-1
- Purity/Analytical Methods: >99.0%
4488-43-1 / acenaphthylene-5-carboxylic acid
Basic Information
CAS
4488-43-1
Multi CAS
No
Molecular Formula
C13H8O2
Molecular Weight
196.200000
Exact Mass
196.052429
InChI
InChI=1S/C13H8O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H,(H,14,15)
InChIKey
CZVILAASJKYMAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.84
TPSA
37.3
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
3.2
Consensus LogP
2.96
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-1.77
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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