CAS RN: 81245-27-4
4-iodo-3-(methoxymethoxy)pyridine
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.20260309 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS81245-27-4
- Purity/Analytical Methods: >99.0%
81245-27-4 / 4-iodo-3-(methoxymethoxy)pyridine
Basic Information
CAS
81245-27-4
Multi CAS
No
Molecular Formula
C7H8InO2
Molecular Weight
265.050000
Exact Mass
264.959980
InChI
InChI=1S/C7H8INO2/c1-10-5-11-7-4-9-3-2-6(7)8/h2-4H,5H2,1H3
InChIKey
XFTWRMVWQKCYOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.46
TPSA
31.35
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1.4
Consensus LogP
1.52
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-3.15
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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