CAS RN: 20784-50-3
ISOBAVACHALCONE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260129 | 5mg / 20mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Chongqing, Hebei | 5-7 business days | Inquiry |
- Product code: starshine_CAS20784-50-3
- Purity/Analytical Methods: >99.0%
20784-50-3 / (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Basic Information
CAS
20784-50-3
Multi CAS
No
Molecular Formula
C20H20O4
Molecular Weight
324.400000
Exact Mass
324.136159
SMILES
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
InChI
InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
InChIKey
DUWPGRAKHMEPCM-IZZDOVSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
94.38
TPSA
77.76
LogP / Solubility
WLOGP
4.21
MLOGP
3.72
XLogP3
5.1
Consensus LogP
4.34
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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