CAS RN: 87562-76-3
kelampayoside A
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.20250505 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS87562-76-3
- Purity/Analytical Methods: >99.0%
87562-76-3 / (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
Basic Information
CAS
87562-76-3
Multi CAS
Yes
Molecular Formula
C20H30O13
Molecular Weight
478.400000
Exact Mass
478.168641
InChI
InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1
InChIKey
CKGKQISENBKOCA-FHXQZXMCSA-N
Physical Properties
Melting Point
132 - 134 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
6
Molar refractivity
107.14
TPSA
185.99
LogP / Solubility
WLOGP
-2.64
MLOGP
-2.29
XLogP3
-2.1
Consensus LogP
-2.34
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-7.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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