CAS RN: 20717-43-5
2-Methyldecahydroquinoline (mixture of isomers)
- Product code: SSC-097559
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
20717-43-5 / 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
Basic Information
CAS
20717-43-5
Multi CAS
No
Molecular Formula
C10H19N
Molecular Weight
153.260000
Exact Mass
153.151750
SMILES
CC1CCC2CCCCC2N1
InChI
InChI=1S/C10H19N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h8-11H,2-7H2,1H3
InChIKey
FJRLSRUBXMUSOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.58
TPSA
12.03
LogP / Solubility
WLOGP
2.32
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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