CAS RN: 1617-18-1
ETHYL 3-BUTENOATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260305 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-069325
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: 25g, 100g, 5g, 500g
- Available purity: >95%
- 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.
1617-18-1 / ethyl but-3-enoate
Basic Information
CAS
1617-18-1
Multi CAS
No
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
SMILES
CCOC(=O)CC=C
InChI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3H,1,4-5H2,2H3
InChIKey
BFMKFCLXZSUVPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
31.45
TPSA
26.3
LogP / Solubility
WLOGP
1.13
MLOGP
0.98
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-2.62
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
Customers Also Viewed
-
-
3,7,8-tri-O-methylellagic acid
- CAS RN: 1617-49-8
- Product Code: starshine_CAS1617-49-8
- Purity/Analytical method: >99.0%
-
-
LUPENONE
- CAS RN: 1617-70-5
- Product Code: starshine_CAS1617-70-5
- Purity/Analytical method: >99.0%
-
-
![CAS 1618-36-6 4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1618-36-6.gif)
