CAS RN: 454685-58-6
5-AMINO-4,6-DIIODOPYRIMIDINE
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.20260429 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS454685-58-6
- Purity/Analytical Methods: >99.0%
454685-58-6 / 4,6-diiodopyrimidin-5-amine
Basic Information
CAS
454685-58-6
Multi CAS
No
Molecular Formula
C4H3I2N3
Molecular Weight
346.900000
Exact Mass
346.841640
InChI
InChI=1S/C4H3I2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2
InChIKey
YKCUYWBKUSVPSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.88
TPSA
51.8
LogP / Solubility
WLOGP
1.27
MLOGP
1.13
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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