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CAS RN: 314742-78-4
3-Benzyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-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.20251230 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS314742-78-4
- Purity/Analytical Methods: >99.0%
314742-78-4 / 3-benzyl-7-hydroxy-4,8-dimethylchromen-2-one
Basic Information
CAS
314742-78-4
Multi CAS
No
Molecular Formula
C18H16O3
Molecular Weight
280.300000
Exact Mass
280.109944
InChI
InChI=1S/C18H16O3/c1-11-14-8-9-16(19)12(2)17(14)21-18(20)15(11)10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3
InChIKey
IGUFQLSMJINTKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.87
TPSA
50.44
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.8
Consensus LogP
3.59
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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