CAS RN: 5511-18-2
1-Adamantanecarboxamide
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
- Product code: SSC-162969
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
5511-18-2 / adamantane-1-carboxamide
Basic Information
CAS
5511-18-2
Multi CAS
No
Molecular Formula
C11H17NO
Molecular Weight
179.260000
Exact Mass
179.131014
InChI
InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
InChIKey
CKBZJTAMRPPVSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.8
TPSA
43.09
LogP / Solubility
WLOGP
1.69
MLOGP
1.48
XLogP3
2
Consensus LogP
1.72
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
