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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 2454-30-0
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
>97% |
1
In Stock
|
Shenzhen |
Inquiry |
| 0.25g |
>97% |
1
In Stock
|
Shanghai |
Inquiry |
| 1g |
>97% |
1
In Stock
|
Beijing |
Inquiry |
| 5g |
>97% |
1
In Stock
|
Hong Kong |
Inquiry |
| 10g |
>97% |
1
In Stock
|
Hong Kong |
Inquiry |
| 25g |
>97% |
1
In Stock
|
Shanghai |
Inquiry |
2454-30-0 / (3-ethenylphenyl) acetate
Standard CAS: 2454-30-0
Multi CAS: No
Basic Information
CAS
2454-30-0
Multi CAS
No
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
InChI
InChI=1S/C10H10O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h3-7H,1H2,2H3
InChIKey
OWTJYMHZFCHOBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.84
TPSA
26.3
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2.5
Consensus LogP
2.24
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.11
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