CAS RN: 4411-25-0
1-Adamantyl Isocyanate
Product Availability
Choose a grade to view its available package options.
11 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260130 | 1g | In stock | Shanghai, Chongqing | Inquiry | |
| Batchno.20260305 | 1g | In stock | Inquiry | ||
| Batchno.20251101 | 200mg | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20260413 | 200mg | Out of stock | Inquiry | ||
| Batchno.20250623 | 25g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250918 | 5g | In stock | Shanghai | Inquiry | |
| Batchno.20250526 | 5g | In stock | Inquiry |
- Product code: SSC-152145
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
4411-25-0 / 1-isocyanatoadamantane
Basic Information
CAS
4411-25-0
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChIKey
VBHCPGFCIQDXGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.02
TPSA
29.43
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
3.6
Consensus LogP
2.63
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
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)
-2.17
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
6
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