CAS RN: 1785761-59-2
ethyl 1-methyl-6-oxopiperidine-3-carboxylate
- Product code: SSC-079487
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 | Shenzhen | Inquiry |
1785761-59-2 / ethyl 1-methyl-6-oxopiperidine-3-carboxylate
Basic Information
CAS
1785761-59-2
Multi CAS
No
Molecular Formula
C9H15NO3
Molecular Weight
185.220000
Exact Mass
185.105193
SMILES
CCOC(=O)C1CCC(=O)N(C1)C
InChI
InChI=1S/C9H15NO3/c1-3-13-9(12)7-4-5-8(11)10(2)6-7/h7H,3-6H2,1-2H3
InChIKey
UYUSOAYYUUQKSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.99
TPSA
46.61
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
Consensus LogP
0.26
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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