CAS RN: 197447-26-0
Isocudraniaxanthone 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.20260315 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS197447-26-0
- Purity/Analytical Methods: >99.0%
197447-26-0 / 1,3,5,6-tetrahydroxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one
Basic Information
CAS
197447-26-0
Multi CAS
No
Molecular Formula
C18H16O6
Molecular Weight
328.300000
Exact Mass
328.094688
SMILES
CC(C)(C=C)C1=C(C=C(C2=C1OC3=C(C2=O)C=CC(=C3O)O)O)O
InChI
InChI=1S/C18H16O6/c1-4-18(2,3)13-11(21)7-10(20)12-14(22)8-5-6-9(19)15(23)16(8)24-17(12)13/h4-7,19-21,23H,1H2,2-3H3
InChIKey
GXZSMOZDSUSQHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
89.87
TPSA
111.13
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
4
Consensus LogP
3.36
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.43
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
Yes
Synthetic Accessibility
2.5
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