CAS RN: 91799-71-2
1-chloro-8-iodonaphthalene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260405 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS91799-71-2
- Purity/Analytical Methods: >99.0%
91799-71-2 / 1-chloro-8-iodonaphthalene
Basic Information
CAS
91799-71-2
Multi CAS
No
Molecular Formula
C11H6Li
Molecular Weight
288.510000
Exact Mass
287.920280
InChI
InChI=1S/C10H6ClI/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKey
XQMTUYPCVZYIGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Molar refractivity
61.68
TPSA
0.0000
LogP / Solubility
WLOGP
4.1
MLOGP
3.62
XLogP3
4.4
Consensus LogP
4.04
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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