CAS RN: 133293-89-7
vinaxanthone
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260306 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250502 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250605 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251027 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250707 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260108 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS133293-89-7
- Purity/Analytical Methods: >99.0%
133293-89-7 / 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-yl)-2,3-dihydroxy-9-oxoxanthene-1-carboxylic acid
Basic Information
CAS
133293-89-7
Multi CAS
No
Molecular Formula
C28H16O14
Molecular Weight
576.400000
Exact Mass
576.054005
SMILES
CC(=O)C1=C(C(=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O)C(=O)C)C4=COC5=C(C4=O)C(=C(C(=C5)O)O)C(=O)O
InChI
InChI=1S/C28H16O14/c1-7(29)9-3-10-22(33)19-15(5-13(32)25(36)21(19)28(39)40)42-26(10)16(8(2)30)17(9)11-6-41-14-4-12(31)24(35)20(27(37)38)18(14)23(11)34/h3-6,31-32,35-36H,1-2H3,(H,37,38)(H,39,40)
InChIKey
MEYYEMQDVMMNNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
6
Molar refractivity
142.05
TPSA
250.08
LogP / Solubility
WLOGP
3.34
MLOGP
2.99
XLogP3
2.3
Consensus LogP
2.88
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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