CAS RN: 21940-36-3
Hesperitin dihydrochalcone glucoside
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.20250418 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21940-36-3
- Purity/Analytical Methods: >99.0%
21940-36-3 / 1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
Basic Information
CAS
21940-36-3
Multi CAS
No
Molecular Formula
C22H26O11
Molecular Weight
466.400000
Exact Mass
466.147512
SMILES
COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C22H26O11/c1-31-16-5-3-10(6-13(16)25)2-4-12(24)18-14(26)7-11(8-15(18)27)32-22-21(30)20(29)19(28)17(9-23)33-22/h3,5-8,17,19-23,25-30H,2,4,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey
YALCGCHVWZLREG-MIUGBVLSSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
7
Molar refractivity
111.48
TPSA
186.37
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.14
XLogP3
0.8
Consensus LogP
0.16
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-5.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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- Purity/Analytical method: >99.0%
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