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CAS 1788054-74-9 tert-Butyl 1,6-diazaspiro[3.4]octane-1-carboxylate oxalate(2:1) molecular structure lightbox
CAS RN: 1788054-74-9

tert-Butyl 1,6-diazaspiro[3.4]octane-1-carboxylate oxalate(2:1)

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250416 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250220 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250918 1g Out of stock Inquiry
Batchno.20260115 250mg In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-079615
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1788054-74-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

1788054-74-9 / bis(tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate);oxalic acid

Standard CAS: 1788054-74-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788054-74-9
Multi CAS
No
Molecular Formula
C24H42N4O8
Molecular Weight
514.600000
Exact Mass
514.300264
SMILES
CC(C)(C)OC(=O)N1CCC12CCNC2.CC(C)(C)OC(=O)N1CCC12CCNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C11H20N2O2.C2H2O4/c2*1-10(2,3)15-9(14)13-7-5-11(13)4-6-12-8-11;3-1(4)2(5)6/h2*12H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
DNHJCRBVFAVRNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
130.82
TPSA
157.74

LogP / Solubility

WLOGP
1.87
MLOGP
1.69
XLogP3
1.87
Consensus LogP
1.81
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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