CAS RN: 22592-15-0
2-Pentynyl Chloride
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.20251108 | 1ml | In stock | Shanghai | Inquiry |
- Product code: SSC-110389
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: 5ml
- Available purity: ≥96%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5ml | ≥96% | 0 Out of Stock | Beijing | Inquiry |
22592-15-0 / 1-chloropent-2-yne
Basic Information
CAS
22592-15-0
Multi CAS
No
Molecular Formula
C5H7Cl
Molecular Weight
102.560000
Exact Mass
102.023628
SMILES
CCC#CCCl
InChI
InChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3
InChIKey
JBKXDMAPOZZDCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.6
Molar refractivity
28.79
TPSA
0.0000
LogP / Solubility
WLOGP
1.64
MLOGP
1.43
XLogP3
1.9
Consensus LogP
1.66
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.18
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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- Purity/Analytical method: >97.0%(GC)
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