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CAS 1630906-60-3 tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate hemioxalate molecular structure lightbox
CAS RN: 1630906-60-3

tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate hemioxalate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-070747
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1630906-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1630906-60-3 / bis(tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate);oxalic acid

Standard CAS: 1630906-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630906-60-3
Multi CAS
No
Molecular Formula
C24H42N4O8
Molecular Weight
514.600000
Exact Mass
514.300264
SMILES
CC(C)(C)OC(=O)N1CCCC12CNC2.CC(C)(C)OC(=O)N1CCCC12CNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C11H20N2O2.C2H2O4/c2*1-10(2,3)15-9(14)13-6-4-5-11(13)7-12-8-11;3-1(4)2(5)6/h2*12H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
HAGQSTKTUAYTMX-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
6.5

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