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CAS 301232-45-1 tert-butyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 301232-45-1

tert-butyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

  • Product code: SSC-133798
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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: 5g
  • 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 301232-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

301232-45-1 / tert-butyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

Standard CAS: 301232-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
301232-45-1
Multi CAS
No
Molecular Formula
C15H27NO4
Molecular Weight
285.380000
Exact Mass
285.194008
InChI
InChI=1S/C15H27NO4/c1-5-19-13(17)7-6-12-8-10-16(11-9-12)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3
InChIKey
LOMUFJYCJDQUID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
76.4
TPSA
55.84

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.4
Consensus LogP
2.67
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly 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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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