CAS RN: 61371-55-9
griffonilide
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS61371-55-9
- Purity/Analytical Methods: >99.0%
61371-55-9 / (6R,7S,7aS)-6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
Basic Information
CAS
61371-55-9
Multi CAS
Yes
Molecular Formula
C8H8O4
Molecular Weight
168.150000
Exact Mass
168.042259
InChI
InChI=1S/C8H8O4/c9-5-2-1-4-3-6(10)12-8(4)7(5)11/h1-3,5,7-9,11H/t5-,7+,8+/m1/s1
InChIKey
VXWUBYBAUIHOHG-DTLFHODZSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.38
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.12
TPSA
66.76
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.77
XLogP3
-1.1
Consensus LogP
-0.91
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 61380-96-9 REL-(3R,3AR,5R,6AR,7R)-7-hydroxyhexahydro-2H-3,5-methanol ring [B]furan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61380-96-9.gif)
