![CAS 1353943-48-2 2-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62578857(1).gif)
CAS RN: 1353943-48-2
2-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester
- Product code: SSC-043659
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 | Beijing | Inquiry |
1353943-48-2 / 2-[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]acetic acid
Basic Information
CAS
1353943-48-2
Multi CAS
No
Molecular Formula
C14H26N2O4
Molecular Weight
286.370000
Exact Mass
286.189257
SMILES
CC(C)(C)OC(=O)N1CCCCC1CN(C)CC(=O)O
InChI
InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)16-8-6-5-7-11(16)9-15(4)10-12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKey
JMNNRXCNTSMXBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.71
TPSA
70.08
LogP / Solubility
WLOGP
1.79
MLOGP
1.59
XLogP3
-0.6
Consensus LogP
0.93
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1353945-79-5 [1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-4-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32577435(1).gif)
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