CAS RN: 69492-91-7
2-IODO-4-METHYL-6-NITROPHENOL
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.20250801 | 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69492-91-7
- Purity/Analytical Methods: >99.0%
69492-91-7 / 2-iodo-4-methyl-6-nitrophenol
Basic Information
CAS
69492-91-7
Multi CAS
No
Molecular Formula
C7H6InO3
Molecular Weight
279.030000
Exact Mass
278.939240
InChI
InChI=1S/C7H6INO3/c1-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,1H3
InChIKey
ZGSKNXKQYFZYAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.22
TPSA
63.37
LogP / Solubility
WLOGP
2.21
MLOGP
1.96
XLogP3
3
Consensus LogP
2.39
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
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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