CAS RN: 2094-72-6
1-Adamantanecarbonyl Chloride
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock5 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250220 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Guangdong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260514 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250415 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250830 | 25g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250511 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20260623 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250615 | 1g / 5g / 25g | Confirm by inquiry | Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250901 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-099200
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | >96% | 0 Out of Stock | Beijing | Inquiry |
2094-72-6 / adamantane-1-carbonyl chloride
Basic Information
CAS
2094-72-6
Multi CAS
No
Molecular Formula
C11H15ClO
Molecular Weight
198.690000
Exact Mass
198.081143
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)Cl
InChI
InChI=1S/C11H15ClO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2
InChIKey
MIBQYWIOHFTKHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.47
TPSA
17.07
LogP / Solubility
WLOGP
2.97
MLOGP
2.61
XLogP3
3.6
Consensus LogP
3.06
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-1.82
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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