CAS RN: 21947-71-7
Bis(trans-cinnamic acid)anhydride
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250928 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250615 | 1g | Out of stock | Inquiry | |
| Batchno.20250812 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260415 | 250mg | Out of stock | Inquiry | |
| Batchno.20260424 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260610 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260507 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS21947-71-7
- Purity/Analytical Methods: >99.0%
21947-71-7 / [(E)-3-phenylprop-2-enoyl] (E)-3-phenylprop-2-enoate
Basic Information
CAS
21947-71-7
Multi CAS
No
Molecular Formula
C18H14O3
Molecular Weight
278.300000
Exact Mass
278.094294
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H14O3/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
InChIKey
FXEDRSGUZBCDMO-PHEQNACWSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
82.05
TPSA
43.37
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
4.1
Consensus LogP
3.55
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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
2.5
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