CAS RN: 879326-76-8
5-IODO-PYRIDINE-3-CARBALDEHYDE
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.20260122 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS879326-76-8
- Purity/Analytical Methods: >99.0%
879326-76-8 / 5-iodopyridine-3-carbaldehyde
Basic Information
CAS
879326-76-8
Multi CAS
No
Molecular Formula
C6H4InO
Molecular Weight
233.010000
Exact Mass
232.933760
InChI
InChI=1S/C6H4INO/c7-6-1-5(4-9)2-8-3-6/h1-4H
InChIKey
IGCFPWASPXMWNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.34
TPSA
29.96
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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