CAS RN: 1162-82-9
GENISTEIN TRIMETHYL ETHER
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.20250407 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1162-82-9
- Purity/Analytical Methods: >99.0%
1162-82-9 / 5,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
Genistein trimethyl ether | 4',5,7-Trimethoxyisoflavone | 5,7,4'-trimethoxyisoflavone
Basic Information
CAS
1162-82-9
Multi CAS
No
Molecular Formula
C18H16O5
Molecular Weight
312.300000
Exact Mass
312.099774
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC)OC
InChI
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-16-9-13(21-2)8-15(22-3)17(16)18(14)19/h4-10H,1-3H3
InChIKey
PVVORTURQPBPEQ-UHFFFAOYSA-N
Synonyms
Genistein trimethyl ether
4',5,7-Trimethoxyisoflavone
5,7,4'-trimethoxyisoflavone
BIOCHANIN A, DIMETHYL ETHER
5,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
87.58
TPSA
57.9
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.1
Consensus LogP
3.22
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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