CAS RN: 721925-17-3
2-Amino-6-iodonitrobenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250520 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS721925-17-3
- Purity/Analytical Methods: >99.0%
721925-17-3 / 3-iodo-2-nitroaniline
Basic Information
CAS
721925-17-3
Multi CAS
No
Molecular Formula
C6H5In2O2
Molecular Weight
264.020000
Exact Mass
263.939570
InChI
InChI=1S/C6H5IN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
InChIKey
YURLZSSAVLKVNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.23
TPSA
69.16
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
2.3
Consensus LogP
1.89
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
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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