CAS RN: 23074-42-2
1-Cyanoadamantane
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251128 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260130 | 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250603 | 25g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251122 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250516 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-112429
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
23074-42-2 / adamantane-1-carbonitrile
Basic Information
CAS
23074-42-2
Multi CAS
No
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
SMILES
C1C2CC3CC1CC(C2)(C3)C#N
InChI
InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChIKey
FQFZASRJFRAEIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.91
H-bond acceptors
1
Molar refractivity
46.22
TPSA
23.79
LogP / Solubility
WLOGP
2.73
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
