![CAS 1235842-48-4 4-Piperidineacetic acid, 1-[(1,1-diMethylethoxy)carbonyl]-4-fluoro-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1235842-48-4.gif)
CAS RN: 1235842-48-4
4-Piperidineacetic acid, 1-[(1,1-diMethylethoxy)carbonyl]-4-fluoro-, ethyl ester
- Product code: SSC-027318
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 | Shanghai | Inquiry |
1235842-48-4 / tert-butyl 4-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-1-carboxylate
Basic Information
CAS
1235842-48-4
Multi CAS
No
Molecular Formula
C14H24FNO4
Molecular Weight
289.340000
Exact Mass
289.168936
SMILES
CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)F
InChI
InChI=1S/C14H24FNO4/c1-5-19-11(17)10-14(15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10H2,1-4H3
InChIKey
LVJPCDFEDFIYAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
72.13
TPSA
55.84
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
2
Consensus LogP
2.35
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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