CAS RN: 885697-82-5
5”-O-Acetyljuglanin
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.20251020 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS885697-82-5
- Purity/Analytical Methods: >99.0%
885697-82-5 / [(2S,3R,4R,5S)-5-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl acetate
Basic Information
CAS
885697-82-5
Multi CAS
Yes
Molecular Formula
C22H20O11
Molecular Weight
460.400000
Exact Mass
460.100561
InChI
InChI=1S/C22H20O11/c1-9(23)30-8-15-17(27)19(29)22(32-15)33-21-18(28)16-13(26)6-12(25)7-14(16)31-20(21)10-2-4-11(24)5-3-10/h2-7,15,17,19,22,24-27,29H,8H2,1H3/t15-,17-,19+,22-/m0/s1
InChIKey
XRBZTOWOCGDQLT-KLQZVLMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
5
Molar refractivity
110.85
TPSA
176.12
LogP / Solubility
WLOGP
0.97
MLOGP
0.88
XLogP3
1.4
Consensus LogP
1.08
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-4.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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