CAS RN: 61203-53-0
2-Iodo-4,5-diMethoxybenzaldehyde
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.20250816 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61203-53-0
- Purity/Analytical Methods: >99.0%
61203-53-0 / 2-iodo-4,5-dimethoxybenzaldehyde
Basic Information
CAS
61203-53-0
Multi CAS
No
Molecular Formula
C9H9IO3
Molecular Weight
292.070000
Exact Mass
291.959640
InChI
InChI=1S/C9H9IO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3
InChIKey
SPKQIKMTTNYPHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
57.65
TPSA
35.53
LogP / Solubility
WLOGP
2.12
MLOGP
1.88
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-3
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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