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CAS 2044704-95-0 tert-butyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate molecular structure lightbox
CAS RN: 2044704-95-0

tert-butyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250903 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-096205
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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: 1g
  • 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 2044704-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2044704-95-0 / tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

Standard CAS: 2044704-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044704-95-0
Multi CAS
No
Molecular Formula
C15H28N2O4
Molecular Weight
300.390000
Exact Mass
300.204907
SMILES
CC(C)(C)OC(=O)C1(CCNCC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O4/c1-13(2,3)20-11(18)15(7-9-16-10-8-15)17-12(19)21-14(4,5)6/h16H,7-10H2,1-6H3,(H,17,19)
InChIKey
PPNHBFSESHCUKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
80.05
TPSA
76.66

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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