CAS RN: 776325-66-7
1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250220 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS776325-66-7
- Purity/Analytical Methods: >99.0%
776325-66-7 / 3,4,5,8-tetrahydroxy-1,2-bis(3-methylbut-2-enyl)xanthen-9-one
Basic Information
CAS
776325-66-7
Multi CAS
No
Molecular Formula
C23H24O6
Molecular Weight
396.400000
Exact Mass
396.157288
InChI
InChI=1S/C23H24O6/c1-11(2)5-7-13-14(8-6-12(3)4)19(26)21(28)23-17(13)20(27)18-15(24)9-10-16(25)22(18)29-23/h5-6,9-10,24-26,28H,7-8H2,1-4H3
InChIKey
SHZLJVCQGYKZLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
14
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
112.92
TPSA
111.13
LogP / Solubility
WLOGP
4.79
MLOGP
4.24
XLogP3
5.9
Consensus LogP
4.98
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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