CAS RN: 90841-85-3
1-Amino-3-iodonaphthalene
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.20250612 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS90841-85-3
- Purity/Analytical Methods: >99.0%
90841-85-3 / 3-iodonaphthalen-1-amine
Basic Information
CAS
90841-85-3
Multi CAS
No
Molecular Formula
C10H8In
Molecular Weight
269.080000
Exact Mass
268.970150
InChI
InChI=1S/C10H8IN/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H,12H2
InChIKey
WVPWDYVGTSSPHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.08
TPSA
26.02
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
3.1
Consensus LogP
2.93
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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