CAS RN: 349495-48-3
Ethanone, 2-aMino-1-cyclohexyl-, hydrochloride (1:1)
- Product code: SSC-141651
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 |
349495-48-3 / 2-amino-1-cyclohexylethanone;hydrochloride
Basic Information
CAS
349495-48-3
Multi CAS
Yes
Molecular Formula
C8H16CLNO
Molecular Weight
177.670000
Exact Mass
177.092042
InChI
InChI=1S/C8H15NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h7H,1-6,9H2;1H
InChIKey
APAQFIMKCGMBQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.88
TPSA
43.09
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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