CAS RN: 199331-36-7
Glyurallin A
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.20250316 | 1mg / 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS199331-36-7
- Purity/Analytical Methods: >99.0%
199331-36-7 / 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Basic Information
CAS
199331-36-7
Multi CAS
No
Molecular Formula
C21H20O5
Molecular Weight
352.400000
Exact Mass
352.131074
SMILES
CC(=CCC1=C(C2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4)O)OC)C
InChI
InChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3
InChIKey
AEAIWNGAMDGGNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99
TPSA
72.06
LogP / Solubility
WLOGP
4.92
MLOGP
4.35
XLogP3
4.7
Consensus LogP
4.66
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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