CAS RN: 91799-72-3
2-Chloro-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.20251016 | 100mg / 250mg / 500mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
91799-72-3 / 2-chloro-3-iodonaphthalene
2-chloro-3-iodonaphthalene | 2-chloro-3-iodo-naphthalene | SCHEMBL19180655
Basic Information
CAS
91799-72-3
Multi CAS
No
Molecular Formula
C11H6Li
Molecular Weight
288.510000
Exact Mass
287.920280
SMILES
C1=CC=C2C=C(C(=CC2=C1)Cl)I
InChI
InChI=1S/C10H6ClI/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
InChIKey
WMSJGUCXXDIEIK-UHFFFAOYSA-N
Synonyms
2-chloro-3-iodonaphthalene
2-chloro-3-iodo-naphthalene
SCHEMBL19180655
G73133
F982865
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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