CAS RN: 864516-31-4
Nigrolineaxanthone V
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.20250327 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS864516-31-4
- Purity/Analytical Methods: >99.0%
864516-31-4 / 7,12-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
Basic Information
CAS
864516-31-4
Multi CAS
No
Molecular Formula
C24H24O6
Molecular Weight
408.400000
Exact Mass
408.157288
InChI
InChI=1S/C24H24O6/c1-12(2)6-7-14-17(28-5)11-16(25)18-19(26)15-10-13-8-9-24(3,4)30-21(13)20(27)23(15)29-22(14)18/h6,8-11,25,27H,7H2,1-5H3
InChIKey
OCYZJBDJUYIHMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
14
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
116.75
TPSA
89.13
LogP / Solubility
WLOGP
5.06
MLOGP
4.48
XLogP3
5.6
Consensus LogP
5.05
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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