CAS RN: 5589-41-3
2,3-DIHYDROWITHAFERINA
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.20251022 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5589-41-3
- Purity/Analytical Methods: >99.0%
5589-41-3 / 6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Basic Information
CAS
5589-41-3
Multi CAS
Yes
Molecular Formula
C28H40O6
Molecular Weight
472.600000
Exact Mass
472.282489
InChI
InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3
InChIKey
YRXCLNDPESBJHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
124.56
TPSA
96.36
LogP / Solubility
WLOGP
3.58
MLOGP
3.18
XLogP3
3.8
Consensus LogP
3.52
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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