CAS RN: 145134-62-9
6-Hydroxykaempferol-3,6,7-triglucoside
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.20250604 | 2mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS145134-62-9
- Purity/Analytical Methods: >99.0%
145134-62-9 / 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
Basic Information
CAS
145134-62-9
Multi CAS
No
Molecular Formula
C33H40O22
Molecular Weight
788.700000
Exact Mass
788.201123
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
InChI
InChI=1S/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2/t13-,14-,15-,17-,18-,19-,22+,23+,24+,25-,26-,27-,31-,32+,33+/m1/s1
InChIKey
ZYJKKAOXNQVUMQ-JRMHXNAHSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
16
Fraction Csp3
0.55
Rotatable bonds
10
H-bond acceptors
22
H-bond donors
14
Molar refractivity
174.44
TPSA
368.81
LogP / Solubility
WLOGP
-5.59
MLOGP
-4.85
XLogP3
-3.2
Consensus LogP
-4.55
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-11.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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