CAS RN: 1627933-29-2
5-iodo-1,3-dimethylpyridin-2(1H)-one
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.20250804 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1627933-29-2
- Purity/Analytical Methods: >99.0%
1627933-29-2 / 5-iodo-1,3-dimethylpyridin-2-one
Basic Information
CAS
1627933-29-2
Multi CAS
No
Molecular Formula
C7H8INO
Molecular Weight
249.050000
Exact Mass
248.965060
SMILES
CC1=CC(=CN(C1=O)C)I
InChI
InChI=1S/C7H8INO/c1-5-3-6(8)4-9(2)7(5)10/h3-4H,1-2H3
InChIKey
XGPIOQVLVXVJDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
Molar refractivity
49.14
TPSA
22
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.32
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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