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CAS 1447606-52-1 1-BOC-4-(CBZ-AMINO)-4-(2-METHOXY-2-OXOETHYL)PIPERIDINE molecular structure lightbox
CAS RN: 1447606-52-1

1-BOC-4-(CBZ-AMINO)-4-(2-METHOXY-2-OXOETHYL)PIPERIDINE

  • Product code: SSC-056018
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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, 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 1447606-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1447606-52-1 / tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate

Standard CAS: 1447606-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1447606-52-1
Multi CAS
No
Molecular Formula
C21H30N2O6
Molecular Weight
406.500000
Exact Mass
406.210387
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC(=O)OC)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H30N2O6/c1-20(2,3)29-19(26)23-12-10-21(11-13-23,14-17(24)27-4)22-18(25)28-15-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3,(H,22,25)
InChIKey
GGOCIPBIGXMLFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
106.17
TPSA
94.17

LogP / Solubility

WLOGP
3.25
MLOGP
2.88
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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