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CAS 710972-40-0 4-(2-METHOXYETHYLAMINO)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 710972-40-0

4-(2-METHOXYETHYLAMINO)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • Product code: SSC-180771
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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: 25g
  • Available purity: ＞97%
  • 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 710972-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

710972-40-0 / tert-butyl 4-(2-methoxyethylamino)piperidine-1-carboxylate

Standard CAS: 710972-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
710972-40-0
Multi CAS
No
Molecular Formula
C13H26N2O3
Molecular Weight
258.360000
Exact Mass
258.194343
InChI
InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-8-5-11(6-9-15)14-7-10-17-4/h11,14H,5-10H2,1-4H3
InChIKey
JDQHOQBFYIPISR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.71
TPSA
50.8

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.1
Consensus LogP
1.38
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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