CAS RN: 53841-07-9
ETHYL 3-BUTYNOATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250728 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250527 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250309 | 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250228 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250914 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-161244
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
53841-07-9 / ethyl but-3-ynoate
Basic Information
CAS
53841-07-9
Multi CAS
No
Molecular Formula
C6H8O2
Molecular Weight
112.130000
Exact Mass
112.052429
InChI
InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h1H,4-5H2,2H3
InChIKey
YUIKUBSCWKOQKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
30.08
TPSA
26.3
LogP / Solubility
WLOGP
0.57
MLOGP
0.49
XLogP3
0.7
Consensus LogP
0.59
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.1
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)
-3
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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