CAS RN: 58822-47-2
secoxyloganin
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250313 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260204 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250826 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250425 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260412 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS58822-47-2
- Purity/Analytical Methods: >99.0%
58822-47-2 / 2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
Basic Information
CAS
58822-47-2
Multi CAS
Yes
Molecular Formula
C17H24O11
Molecular Weight
404.400000
Exact Mass
404.131862
InChI
InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1
InChIKey
MQLSOVRLZHTATK-PEYNGXJCSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.65
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
5
Molar refractivity
89.25
TPSA
172.21
LogP / Solubility
WLOGP
-1.89
MLOGP
-1.64
XLogP3
-1.6
Consensus LogP
-1.71
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble
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)
-6.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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