CAS RN: 50400-64-1
4H-1-Benzopyran-4-one,7-methyl-2-phenyl-(9CI)
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.20250914 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS50400-64-1
- Purity/Analytical Methods: >99.0%
50400-64-1 / 7-methyl-2-phenylchromen-4-one
Basic Information
CAS
50400-64-1
Multi CAS
No
Molecular Formula
C16H12O2
Molecular Weight
236.260000
Exact Mass
236.083730
InChI
InChI=1S/C16H12O2/c1-11-7-8-13-14(17)10-15(18-16(13)9-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
BOOZKYVPJBHUHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.66
TPSA
30.21
LogP / Solubility
WLOGP
3.77
MLOGP
3.32
XLogP3
3.9
Consensus LogP
3.66
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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