CAS RN: 512781-45-2
Afzelechin 3-O-xyloside
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.20260425 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS512781-45-2
- Purity/Analytical Methods: >99.0%
512781-45-2 / 2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]oxane-3,4,5-triol
Basic Information
CAS
512781-45-2
Multi CAS
Yes
Molecular Formula
C20H22O9
Molecular Weight
406.400000
Exact Mass
406.126382
InChI
InChI=1S/C20H22O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-6,14,16-26H,7-8H2
InChIKey
PNKDYHXWXNUKQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
6
Molar refractivity
97.58
TPSA
149.07
LogP / Solubility
WLOGP
0.3
MLOGP
0.29
XLogP3
0.2
Consensus LogP
0.26
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-4.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
SRX-246 512784-93-9
- CAS RN: 512784-93-9
- Product Code: starshine_CAS512784-93-9
- Purity/Analytical method: >99.0%
-
1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,5-ethylester(9CI)
- CAS RN: 512809-16-4
- Product Code: SSC-158101
-
5-[(4-CHLORO-3-NITRO-1H-PYRAZOL-1-YL)METHYL]-2-FURALDEHYDE
- CAS RN: 512809-42-6
- Product Code: SSC-158102
-
5-(4-NITRO-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBALDEHYDE
- CAS RN: 512809-43-7
- Product Code: SSC-158103
-
3-(4-BROMO-3,5-DIMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID
- CAS RN: 512809-48-2
- Product Code: SSC-158104
-
1H-Pyrazole-4-carboxylicacid,1-ethyl-,hydrazide(9CI)
- CAS RN: 512809-51-7
- Product Code: SSC-158105
![CAS 512809-42-6 5-[(4-CHLORO-3-NITRO-1H-PYRAZOL-1-YL)METHYL]-2-FURALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/512809-42-6.gif)
