CAS RN: 849699-55-4
Rubicordifolin
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.20260124 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS849699-55-4
- Purity/Analytical Methods: >99.0%
849699-55-4 / methyl 5-hydroxy-2-[(12R,13R,15R)-8-hydroxy-12-(2-hydroxypropan-2-yl)-15-methyl-10-oxo-11,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8-pentaen-15-yl]benzo[g][1]benzofuran-4-carboxylate
Basic Information
CAS
849699-55-4
Multi CAS
Yes
Molecular Formula
C33H28O9
Molecular Weight
568.600000
Exact Mass
568.173332
InChI
InChI=1S/C33H28O9/c1-32(2,38)29-20-14-33(3,42-28-18-12-8-6-10-16(18)26(35)24(22(20)28)31(37)41-29)21-13-19-23(30(36)39-4)25(34)15-9-5-7-11-17(15)27(19)40-21/h5-13,20,29,34-35,38H,14H2,1-4H3/t20-,29-,33-/m1/s1
InChIKey
ZDZRMYBQJYWXBR-CXUYDDCUSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
3
Molar refractivity
153.18
TPSA
135.66
LogP / Solubility
WLOGP
6.03
MLOGP
5.35
XLogP3
6.6
Consensus LogP
5.99
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-8.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.72
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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