CAS RN: 55720-22-4
5-Acenaphthenecarboxylic 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.20260309 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55720-22-4
- Purity/Analytical Methods: >99.0%
55720-22-4 / 1,2-dihydroacenaphthylene-5-carboxylic acid
Basic Information
CAS
55720-22-4
Multi CAS
Yes
Molecular Formula
C13H10O2
Molecular Weight
198.220000
Exact Mass
198.068080
InChI
InChI=1S/C13H10O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,14,15)
InChIKey
DXKAWGBIIVQFIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.32
TPSA
37.3
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
3.5
Consensus LogP
2.82
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.06
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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