CAS RN: 80604-17-7
2′,5,6′,7-Tetraacetoxyflavane
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.20260111 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS80604-17-7
- Purity/Analytical Methods: >99.0%
80604-17-7 / [3-acetyloxy-2-(5,7-diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate
Basic Information
CAS
80604-17-7
Multi CAS
Yes
Molecular Formula
C23H20O10
Molecular Weight
456.400000
Exact Mass
456.105647
InChI
InChI=1S/C23H20O10/c1-11(24)29-15-8-19(32-14(4)27)22-16(28)10-21(33-20(22)9-15)23-17(30-12(2)25)6-5-7-18(23)31-13(3)26/h5-9,21H,10H2,1-4H3
InChIKey
QAJSRSKXTOZULY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
10
Molar refractivity
110.44
TPSA
131.5
LogP / Solubility
WLOGP
3.09
MLOGP
2.75
XLogP3
1.9
Consensus LogP
2.58
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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