CAS RN: 65017-39-2
4H-1-Benzopyran-4-one, 8-Methyl-
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.20250826 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65017-39-2
- Purity/Analytical Methods: >99.0%
65017-39-2 / 8-methylchromen-4-one
Basic Information
CAS
65017-39-2
Multi CAS
No
Molecular Formula
C10H8O2
Molecular Weight
160.170000
Exact Mass
160.052429
InChI
InChI=1S/C10H8O2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3
InChIKey
DLBDWKDOHINUIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
47.22
TPSA
30.21
LogP / Solubility
WLOGP
2.1
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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