CAS RN: 56470-18-9
3,7,8-Tri-O-methylellagic acid 2-O-rutinoside
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.20250605 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS56470-18-9
- Purity/Analytical Methods: >99.0%
56470-18-9 / 6,7,14-trimethoxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Basic Information
CAS
56470-18-9
Multi CAS
No
Molecular Formula
C29H32O17
Molecular Weight
652.600000
Exact Mass
652.163950
InChI
InChI=1S/C29H32O17/c1-8-16(30)18(32)20(34)28(42-8)41-7-13-17(31)19(33)21(35)29(44-13)43-12-6-10-15-14-9(26(36)46-25(15)23(12)40-4)5-11(38-2)22(39-3)24(14)45-27(10)37/h5-6,8,13,16-21,28-35H,7H2,1-4H3/t8-,13+,16-,17+,18+,19-,20+,21+,28+,29+/m0/s1
InChIKey
OTHVXIIXNQEQPH-PICHOHMMSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
16
Fraction Csp3
0.52
Rotatable bonds
8
H-bond acceptors
17
H-bond donors
6
Molar refractivity
152.49
TPSA
246.41
LogP / Solubility
WLOGP
-1.45
MLOGP
-1.22
XLogP3
-1.4
Consensus LogP
-1.36
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-7.73
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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