CAS RN: 22535-49-5
2-Propenoic acid,4-benzoylphenyl ester
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260616 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250627 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250818 | 25g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260102 | 500g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251202 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-110168
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
22535-49-5 / (4-benzoylphenyl) prop-2-enoate
Basic Information
CAS
22535-49-5
Multi CAS
No
Molecular Formula
C16H12O3
Molecular Weight
252.260000
Exact Mass
252.078644
SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H12O3/c1-2-15(17)19-14-10-8-13(9-11-14)16(18)12-6-4-3-5-7-12/h2-11H,1H2
InChIKey
LTYBJDPMCPTGEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
72.15
TPSA
43.37
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
3.6
Consensus LogP
3.09
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
