CAS RN: 483-66-9
sphondin
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS483-66-9
- Purity/Analytical Methods: >99.0%
483-66-9 / 6-methoxyfuro[2,3-h]chromen-2-one
Basic Information
CAS
483-66-9
Multi CAS
No
Molecular Formula
C12H8O4
Molecular Weight
216.190000
Exact Mass
216.042259
InChI
InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3
InChIKey
DLCJNIBLOSKIQW-UHFFFAOYSA-N
Physical Properties
Appearance
White powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.81
TPSA
52.58
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.23
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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