CAS RN: 22697-65-0
4′,5,7-trihydroxy-3,6-dimethoxyflavone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260108 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS22697-65-0
- Purity/Analytical Methods: >99.0%
22697-65-0 / 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one
Basic Information
CAS
22697-65-0
Multi CAS
No
Molecular Formula
C17H14O7
Molecular Weight
330.290000
Exact Mass
330.073953
SMILES
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
InChIKey
DDNPCXHBFYJXBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
86.02
TPSA
109.36
LogP / Solubility
WLOGP
2.59
MLOGP
2.3
XLogP3
2.8
Consensus LogP
2.56
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 226985-04-2 N,N-bis[(1,1-dimethylethoxy)carbonyl]-, 1-(1,1-dimethylethyl) 5-methyl ester(WXG02485) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N,N-bis[(1,1-dimethylethoxy)carbonyl]-, 1-(1,1-dimethylethyl) 5-methyl ester(WXG02485)
- CAS RN: 226985-04-2
- Product Code: SSC-110708
-
4,5-Pyridazinediol,hexahydro-3-(hydroxymethyl)-,(3S,4S,5S)-(9CI)
- CAS RN: 226988-04-1
- Product Code: starshine_CAS226988-04-1
- Purity/Analytical method: >99.0%
-
n-(2-chlorophenyl)phthalimide
- CAS RN: 22698-95-9
- Product Code: starshine_CAS22698-95-9
- Purity/Analytical method: >99.0%
-
-
-
N-tert-Butyl-N-(2-Methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylaMine
- CAS RN: 227000-59-1
- Product Code: starshine_CAS227000-59-1
- Purity/Analytical method: >99.0%
![CAS 226985-04-2 N,N-bis[(1,1-dimethylethoxy)carbonyl]-, 1-(1,1-dimethylethyl) 5-methyl ester(WXG02485) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/226985-04-2.gif)
