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CAS 1219331-78-8 Methyl 2-(Boc-aMino)-2-(3-piperidyl)acetate molecular structure lightbox
CAS RN: 1219331-78-8

Methyl 2-(Boc-aMino)-2-(3-piperidyl)acetate

  • Product code: SSC-024765
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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, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1219331-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1219331-78-8 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate

Standard CAS: 1219331-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219331-78-8
Multi CAS
No
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
SMILES
CC(C)(C)OC(=O)NC(C1CCCNC1)C(=O)OC
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-10(11(16)18-4)9-6-5-7-14-8-9/h9-10,14H,5-8H2,1-4H3,(H,15,17)
InChIKey
HKYHGXQKYQHGFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
70.77
TPSA
76.66

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
1.2
Consensus LogP
1.06
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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