![CAS 211799-56-3 2′,4′,5′-TriMethoxy-2”,2”-diMethylpyrano[5”,6”:6,7]isoflavone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/211799-56-3.gif)
CAS RN: 211799-56-3
2′,4′,5′-TriMethoxy-2”,2”-diMethylpyrano[5”,6”:6,7]isoflavone
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.20260124 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS211799-56-3
- Purity/Analytical Methods: >99.0%
211799-56-3 / 2,2-dimethyl-7-(2,4,5-trimethoxyphenyl)pyrano[3,2-g]chromen-6-one
Basic Information
CAS
211799-56-3
Multi CAS
No
Molecular Formula
C23H22O6
Molecular Weight
394.400000
Exact Mass
394.141638
SMILES
CC1(C=CC2=CC3=C(C=C2O1)OC=C(C3=O)C4=CC(=C(C=C4OC)OC)OC)C
InChI
InChI=1S/C23H22O6/c1-23(2)7-6-13-8-15-19(10-17(13)29-23)28-12-16(22(15)24)14-9-20(26-4)21(27-5)11-18(14)25-3/h6-12H,1-5H3
InChIKey
KQWHMSRCYTXPHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
111.32
TPSA
67.13
LogP / Solubility
WLOGP
4.67
MLOGP
4.13
XLogP3
4
Consensus LogP
4.27
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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