CAS RN: 2051-95-8
3-Benzoylpropionic Acid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-096499
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 3 In Stock | Beijing | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
2051-95-8 / 4-oxo-4-phenylbutanoic acid
Basic Information
CAS
2051-95-8
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
SMILES
C1=CC=C(C=C1)C(=O)CCC(=O)O
InChI
InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey
KMQLIDDEQAJAGJ-UHFFFAOYSA-N
Physical Properties
Physical Description
Light brown crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.64
TPSA
54.37
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 111128-12-2 2-[4-(Bromomethyl)phenyl]propionic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2101-jpgcontextbwfzdgvyfhjvb3r8mjgzmjv8aw1hz2uvanblz3xomjgvagfmlzg5mjg3njk5mzmzndivqjixmdeuanbnfde3zdfhmtdlmdhmnduzmgnjnjkxnmqwywqyyziyotg0yjy0mzeymjgzzmi2mtg3ntmyotq3ntm1mjnjotm2odc.jpeg)
