CAS RN: 79886-50-3
1,2,3,6-tetragalloylglucose
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250316 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260325 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250724 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250420 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251127 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20250405 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS79886-50-3
- Purity/Analytical Methods: >99.0%
79886-50-3 / [(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Basic Information
CAS
79886-50-3
Multi CAS
Yes
Molecular Formula
C34H28O22
Molecular Weight
788.600000
Exact Mass
788.107223
InChI
InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
InChIKey
RATQVALKDAUZBW-XPMKZLBQSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
24
Fraction Csp3
0.18
Rotatable bonds
9
H-bond acceptors
22
H-bond donors
13
Molar refractivity
174.52
TPSA
377.42
LogP / Solubility
WLOGP
0.7
MLOGP
0.69
XLogP3
1.5
Consensus LogP
0.96
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble
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)
-7.03
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
7.5
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[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-8-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
- CAS RN: 79907-44-1
- Product Code: starshine_CAS79907-44-1
- Purity/Analytical method: >99.0%
![CAS 79907-44-1 [(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-8-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/79907-44-1.gif)