CAS RN: 40745-44-6
1-Acenaphthenamine
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.20260213 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40745-44-6
- Purity/Analytical Methods: >99.0%
40745-44-6 / 1,2-dihydroacenaphthylen-1-amine
Basic Information
CAS
40745-44-6
Multi CAS
No
Molecular Formula
C12H11N
Molecular Weight
169.220000
Exact Mass
169.089149
InChI
InChI=1S/C12H11N/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11H,7,13H2
InChIKey
LCYNDXQWJAMEAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.58
TPSA
26.02
LogP / Solubility
WLOGP
2.4
MLOGP
2.1
XLogP3
2.1
Consensus LogP
2.2
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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