CAS RN: 5668-66-6
1-Acenaphthenamine hydrochloride
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.20260105 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5668-66-6
- Purity/Analytical Methods: >99.0%
5668-66-6 / 1,2-dihydroacenaphthylen-1-amine;hydrochloride
Basic Information
CAS
5668-66-6
Multi CAS
Yes
Molecular Formula
C12H12CLN
Molecular Weight
205.680000
Exact Mass
205.065827
InChI
InChI=1S/C12H11N.ClH/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9;/h1-6,11H,7,13H2;1H
InChIKey
UPIABGRPUYYFBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.83
TPSA
26.02
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: starshine_CAS5685-06-3
- Purity/Analytical method: >99.0%
