CAS RN: 637-44-5
Phenylpropiolic Acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250308 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-173428
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: 1g, 10g, 5g, 25g, 100g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 1g | -- | 3 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 10g | -- | 3 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | -- | 1 In Stock | Beijing | Inquiry |
| 100g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
637-44-5 / 3-phenylprop-2-ynoic acid
Basic Information
CAS
637-44-5
Multi CAS
No
Molecular Formula
C9H6O2
Molecular Weight
146.140000
Exact Mass
146.036779
InChI
InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChIKey
XNERWVPQCYSMLC-UHFFFAOYSA-N
Physical Properties
Melting Point
136 - 139 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.96
TPSA
37.3
LogP / Solubility
WLOGP
1.12
MLOGP
0.98
XLogP3
2
Consensus LogP
1.37
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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