CAS RN: 341528-94-7
3-iodo-6-methyl-4H-chromen-4-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.20250606 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS341528-94-7
- Purity/Analytical Methods: >99.0%
341528-94-7 / 3-iodo-6-methylchromen-4-one
Basic Information
CAS
341528-94-7
Multi CAS
No
Molecular Formula
C10H7IO2
Molecular Weight
286.070000
Exact Mass
285.949080
InChI
InChI=1S/C10H7IO2/c1-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-5H,1H3
InChIKey
CJSHDCWYYXFLMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
59.94
TPSA
30.21
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
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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