CAS RN: 2007925-20-2
Cyclohexaneethanol, 4-amino-, hydrochloride (1:1), trans-
- Product code: SSC-094752
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2007925-20-2 / 2-(4-aminocyclohexyl)ethanol;hydrochloride
Basic Information
CAS
2007925-20-2
Multi CAS
No
Molecular Formula
C8H18ClNO
Molecular Weight
179.690000
Exact Mass
179.107692
SMILES
C1CC(CCC1CCO)N.Cl
InChI
InChI=1S/C8H17NO.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h7-8,10H,1-6,9H2;1H
InChIKey
SQFIQDIAYQRZHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.88
TPSA
46.25
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.89
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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![CAS 2008714-39-2 ((1R,8S,9S)-BICYCLO[6.1.0]NON-4-YN-9-YL)METHYL 2-AMINOETHYLCARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2008714-39-2.png)
