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CAS 1349644-17-2 Methyl 1-Boc-3-allylpiperidine-3-carboxylate molecular structure lightbox
CAS RN: 1349644-17-2

Methyl 1-Boc-3-allylpiperidine-3-carboxylate

  • Product code: SSC-042775
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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: ≥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 1349644-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1349644-17-2 / 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate

Standard CAS: 1349644-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1349644-17-2
Multi CAS
No
Molecular Formula
C15H25NO4
Molecular Weight
283.360000
Exact Mass
283.178358
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CC=C)C(=O)OC
InChI
InChI=1S/C15H25NO4/c1-6-8-15(12(17)19-5)9-7-10-16(11-15)13(18)20-14(2,3)4/h6H,1,7-11H2,2-5H3
InChIKey
GGRLBVMLDQSJRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
76.3
TPSA
55.84

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.4
Consensus LogP
2.53
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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