CAS RN: 68498-54-4
Cyclopentyl Isocyanide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250115 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250817 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20251113 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260326 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250111 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250119 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-178215
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
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
68498-54-4 / isocyanocyclopentane
Basic Information
CAS
68498-54-4
Multi CAS
Yes
Molecular Formula
C6H9N
Molecular Weight
95.140000
Exact Mass
95.073499
InChI
InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h6H,2-5H2
InChIKey
XTLSDEJNOQVCHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
28.86
TPSA
4.36
LogP / Solubility
WLOGP
1.85
MLOGP
1.61
XLogP3
1.2
Consensus LogP
1.55
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-1.99
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
