CAS RN: 67522-37-6
8-Iodo-3-nitro-1-naphthoic acid
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.20251213 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS67522-37-6
- Purity/Analytical Methods: >99.0%
67522-37-6 / 8-iodo-3-nitronaphthalene-1-carboxylic acid
Basic Information
CAS
67522-37-6
Multi CAS
No
Molecular Formula
C11H6InO4
Molecular Weight
343.070000
Exact Mass
342.934160
InChI
InChI=1S/C11H6INO4/c12-9-3-1-2-6-4-7(13(16)17)5-8(10(6)9)11(14)15/h1-5H,(H,14,15)
InChIKey
UIAOTQIOWXPHLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.28
TPSA
80.44
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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)
-2.65
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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