CAS RN: 131359-24-5
“(E,E)-Bis(2-hydroxybenzylidene)acetone(2-HBA)”
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS131359-24-5
- Purity/Analytical Methods: >99.0%
131359-24-5 / (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
Basic Information
CAS
131359-24-5
Multi CAS
No
Molecular Formula
C17H14O3
Molecular Weight
266.290000
Exact Mass
266.094294
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2O)O
InChI
InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+
InChIKey
YNVAHBUBGBLIEY-WGDLNXRISA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.29
TPSA
57.53
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.4
Consensus LogP
3.26
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
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
1.5
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