![CAS 60796-64-7 6-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b’]dipyran-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60796-64-7.gif)
CAS RN: 60796-64-7
6-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b’]dipyran-2-one
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS60796-64-7
- Purity/Analytical Methods: >99.0%
60796-64-7 / 8,8-dimethyl-10H-pyrano[2,3-h]chromene-2,9-dione
Basic Information
CAS
60796-64-7
Multi CAS
Yes
Molecular Formula
C14H12O4
Molecular Weight
244.240000
Exact Mass
244.073559
InChI
InChI=1S/C14H12O4/c1-14(2)6-5-9-12-8(3-4-11(16)17-12)7-10(15)13(9)18-14/h3-7,15H,1-2H3
InChIKey
OYPWMLRFDXSKJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.29
H-bond acceptors
4
Molar refractivity
65.9
TPSA
56.51
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-2.74
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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![CAS 60811-39-4 7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60811-39-4.gif)