CAS RN: 94898-61-0
Glycoside O-4
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.20251113 | 2mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS94898-61-0
- Purity/Analytical Methods: >99.0%
94898-61-0 / [4-hydroxy-6-(16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-2-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] hydrogen sulfate
Basic Information
CAS
94898-61-0
Multi CAS
Yes
Molecular Formula
C39H62O15S
Molecular Weight
803.000000
Exact Mass
802.380942
InChI
InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3
InChIKey
RPFYDENHBPRCTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Fraction Csp3
0.95
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
6
Molar refractivity
191.95
TPSA
220.13
LogP / Solubility
WLOGP
2.22
MLOGP
2.02
XLogP3
2.1
Consensus LogP
2.11
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.05
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
10
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- CAS RN: 94942-49-1
- Product Code: starshine_CAS94942-49-1
- Purity/Analytical method: >99.0%
