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: 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 3
- 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.
22031-64-7 / (E)-3-phenylprop-2-enamide
Basic Information
CAS
22031-64-7
Multi CAS
No
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
SMILES
C1=CC=C(C=C1)/C=C/C(=O)N
InChI
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
InChIKey
APEJMQOBVMLION-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.67
TPSA
43.09
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.4
Consensus LogP
1.21
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.78
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
Applications of CAS 22031-64-7
This compound is commonly used in life science and biochemical research, biochemistry and reagent applications, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 22031-64-7 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | (E)-3-phenylprop-2-enamide |
Safety Information (GHS)
Pictogram(s): GHS07. Signal word: Warning.
- H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary statements: P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Request the SDS (Safety Data Sheet) for full hazard and safety documentation.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
