CAS RN: 197447-32-8
Latisxanthone C
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.20260425 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS197447-32-8
- Purity/Analytical Methods: >99.0%
197447-32-8 / 7,9,12-trihydroxy-2,2-dimethyl-8,10-bis(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
Basic Information
CAS
197447-32-8
Multi CAS
No
Molecular Formula
C28H30O6
Molecular Weight
462.500000
Exact Mass
462.204239
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=C4C(=C3)C=CC(O4)(C)C)O)CC=C(C)C)O)C
InChI
InChI=1S/C28H30O6/c1-14(2)7-9-17-21(29)18(10-8-15(3)4)26-20(22(17)30)23(31)19-13-16-11-12-28(5,6)34-25(16)24(32)27(19)33-26/h7-8,11-13,29-30,32H,9-10H2,1-6H3
InChIKey
PZWBBMGLWODZNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
14
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
135
TPSA
100.13
LogP / Solubility
WLOGP
6.26
MLOGP
5.54
XLogP3
7.2
Consensus LogP
6.33
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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