CAS RN: 10496-67-0
2”-HYDROXY-3,4,4”,6”-TETRAMETHOXYCHALCONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250514 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS10496-67-0
- Purity/Analytical Methods: >99.0%
10496-67-0 / (E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one | 2''-HYDROXY-3,4,4'',6''-TETRAMETHOXYCHALCONE | SCHEMBL5432735
Basic Information
CAS
10496-67-0
Multi CAS
Yes
Molecular Formula
C19H20O6
Molecular Weight
344.400000
Exact Mass
344.125988
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O)OC
InChI
InChI=1S/C19H20O6/c1-22-13-10-15(21)19(18(11-13)25-4)14(20)7-5-12-6-8-16(23-2)17(9-12)24-3/h5-11,21H,1-4H3
InChIKey
CEBBHGDAHZDJTP-UHFFFAOYSA-N
Synonyms
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
2''-HYDROXY-3,4,4'',6''-TETRAMETHOXYCHALCONE
SCHEMBL5432735
SCHEMBL30384010
DTXSID10343773
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
94.12
TPSA
74.22
LogP / Solubility
WLOGP
3.32
MLOGP
2.94
XLogP3
3.8
Consensus LogP
3.35
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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