CAS RN: 182291-66-3
3-(adamantan-1-yl)-2-aminopropanoic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250915 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-083420
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
182291-66-3 / 3-(1-adamantyl)-2-aminopropanoic acid;hydrochloride
Basic Information
CAS
182291-66-3
Multi CAS
No
Molecular Formula
C13H22ClNO2
Molecular Weight
259.770000
Exact Mass
259.133907
SMILES
C1C2CC3CC1CC(C2)(C3)CC(C(=O)O)N.Cl
InChI
InChI=1S/C13H21NO2.ClH/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13;/h8-11H,1-7,14H2,(H,15,16);1H
InChIKey
NSPGPACVPPNYAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.08
TPSA
63.32
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.43
Consensus LogP
2.33
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6.5
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