CAS RN: 1802790-53-9
1-(tert-butoxycarbonyl)-4-(cyanomethyl)piperidine-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260302 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-080697
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 |
1802790-53-9 / 4-(cyanomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Basic Information
CAS
1802790-53-9
Multi CAS
No
Molecular Formula
C13H20N2O4
Molecular Weight
268.310000
Exact Mass
268.142307
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC#N)C(=O)O
InChI
InChI=1S/C13H20N2O4/c1-12(2,3)19-11(18)15-8-5-13(4-7-14,6-9-15)10(16)17/h4-6,8-9H2,1-3H3,(H,16,17)
InChIKey
ZPTFGPNXPKJCIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.34
TPSA
90.63
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
0.6
Consensus LogP
1.46
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
