CAS RN: 494210-73-0
TERT-BUTOXYCARBONYLAMINO-PIPERIDIN-4-YL-ACETIC ACID
- Product code: SSC-155686
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
494210-73-0 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetic acid
Basic Information
CAS
494210-73-0
Multi CAS
Yes
Molecular Formula
C12H22N2O4
Molecular Weight
258.310000
Exact Mass
258.157957
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)8-4-6-13-7-5-8/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ACLWTUJHNVQTSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
66.39
TPSA
87.66
LogP / Solubility
WLOGP
0.96
MLOGP
0.86
XLogP3
-1.4
Consensus LogP
0.14
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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