CAS RN: 67685-22-7
Anhydroglycinol
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS67685-22-7
- Purity/Analytical Methods: >99.0%
67685-22-7 / 6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Basic Information
CAS
67685-22-7
Multi CAS
No
Molecular Formula
C15H10O4
Molecular Weight
254.240000
Exact Mass
254.057909
InChI
InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2
InChIKey
WYIDBNAGSMCMET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.31
TPSA
62.83
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
2.8
Consensus LogP
3.07
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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