CAS RN: 89498-91-9
Picrasil B
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.20250721 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS89498-91-9
- Purity/Analytical Methods: >99.0%
89498-91-9 / 10-hydroxy-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-en-18-one
Basic Information
CAS
89498-91-9
Multi CAS
Yes
Molecular Formula
C22H32O6
Molecular Weight
392.500000
Exact Mass
392.219889
InChI
InChI=1S/C22H32O6/c1-10-6-14(25-5)20(24)22(4)12(10)7-15-21(3)13(8-16(23)28-15)11(2)17-18(19(21)22)27-9-26-17/h6,10-13,15-19,23H,7-9H2,1-5H3
InChIKey
OKSYGNZRHZRPCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.84
TPSA
74.22
LogP / Solubility
WLOGP
2.5
MLOGP
2.22
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
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