CAS RN: 2212305-01-4
2-Ethoxy-3-acetonyltaxifolin
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.20250221 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2212305-01-4
- Purity/Analytical Methods: >99.0%
2212305-01-4 / 2-(3,4-dihydroxyphenyl)-2-ethoxy-3,5,7-trihydroxy-3-(2-oxopropyl)chromen-4-one
Basic Information
CAS
2212305-01-4
Multi CAS
No
Molecular Formula
C20H20O9
Molecular Weight
404.400000
Exact Mass
404.110732
SMILES
CCOC1(C(C(=O)C2=C(C=C(C=C2O1)O)O)(CC(=O)C)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C20H20O9/c1-3-28-20(11-4-5-13(23)14(24)6-11)19(27,9-10(2)21)18(26)17-15(25)7-12(22)8-16(17)29-20/h4-8,22-25,27H,3,9H2,1-2H3
InChIKey
MKRMEFNBLYQLBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
5
Molar refractivity
98.05
TPSA
153.75
LogP / Solubility
WLOGP
1.68
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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