CAS RN: 131189-57-6
Cornuside
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251224 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250112 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251104 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260401 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250607 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250122 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS131189-57-6
- Purity/Analytical Methods: >99.0%
131189-57-6 / methyl (2R,3S,4R)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Basic Information
CAS
131189-57-6
Multi CAS
No
Molecular Formula
C24H30O14
Molecular Weight
542.500000
Exact Mass
542.163556
SMILES
COC(=O)C1=CO[C@@H]([C@H]([C@H]1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16+,18+,19-,20+,23+,24-/m0/s1
InChIKey
SMTKSCGLXONVGL-ZEIULZLQSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
14
H-bond donors
7
Molar refractivity
123.34
TPSA
221.9
LogP / Solubility
WLOGP
-1
MLOGP
-0.84
XLogP3
-0.2
Consensus LogP
-0.68
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-6.74
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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