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CAS 1788043-91-3 Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate oxalate(2:1) molecular structure lightbox
CAS RN: 1788043-91-3

Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate oxalate(2:1)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-079594
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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 1788043-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1788043-91-3 / bis(methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate);oxalic acid

Standard CAS: 1788043-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788043-91-3
Multi CAS
No
Molecular Formula
C26H46N4O12
Molecular Weight
606.700000
Exact Mass
606.311223
SMILES
CC(C)(C)OC(=O)NC1(CCNCC1)C(=O)OC.CC(C)(C)OC(=O)NC1(CCNCC1)C(=O)OC.C(=O)(C(=O)O)O
InChI
InChI=1S/2C12H22N2O4.C2H2O4/c2*1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12;3-1(4)2(5)6/h2*13H,5-8H2,1-4H3,(H,14,16);(H,3,4)(H,5,6)
InChIKey
GMQWYNXNWCXKQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
6
Molar refractivity
147.71
TPSA
227.92

LogP / Solubility

WLOGP
0.77
MLOGP
0.72
XLogP3
0.77
Consensus LogP
0.75
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.88

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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