CAS RN: 59014-02-7
8-Hydroxyhyperforin 8,1-hemiacetal
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.20250904 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS59014-02-7
- Purity/Analytical Methods: >99.0%
59014-02-7 / (1R,3R,4R,5S,7R,8S)-8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione
Basic Information
CAS
59014-02-7
Multi CAS
Yes
Molecular Formula
C35H52O5
Molecular Weight
552.800000
Exact Mass
552.381475
InChI
InChI=1S/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3/t27-,31+,32+,33+,34+,35-/m0/s1
InChIKey
IFUPNXPBDBNEAO-GAONCQJMSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.69
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
1
Molar refractivity
160.51
TPSA
80.67
LogP / Solubility
WLOGP
7.64
MLOGP
6.76
XLogP3
9.2
Consensus LogP
7.87
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.67
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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