CAS RN: 441044-11-7
4-HYDROXY-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
- Product code: SSC-152139
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: 0.1g, 0.25g, 1g
- Available purity: >97%
- 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.
441044-11-7 / (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Basic Information
CAS
441044-11-7
Multi CAS
Yes
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m1/s1
InChIKey
GCAZZUFIDGXTDA-HTQZYQBOSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.6
TPSA
87.07
LogP / Solubility
WLOGP
0.83
MLOGP
0.74
XLogP3
0.6
Consensus LogP
0.72
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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