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CAS 1086398-04-0 2,5-Diazaspiro[3.4]octane-5-carboxylicacid-1,1-dimethylethylester molecular structure lightbox
CAS RN: 1086398-04-0

2,5-Diazaspiro[3.4]octane-5-carboxylicacid-1,1-dimethylethylester

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250404 250mg In stock Inquiry
Batchno.20250814 50mg In stock Inquiry
  • Product code: SSC-009949
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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: ≥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 1086398-04-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing 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

1086398-04-0 / tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate

tert-Butyl 2,5-diazaspiro[3.4]octane-5-carboxylate | DTXSID00677312 | tert-butyl 2,5-diazaspiro(3.4)octane-5-carboxylate

Standard CAS: 1086398-04-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1086398-04-0
Multi CAS
Yes
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N1CCCC12CNC2
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-4-5-11(13)7-12-8-11/h12H,4-8H2,1-3H3
InChIKey
XKASCTCECDLMSI-UHFFFAOYSA-N
Synonyms
tert-Butyl 2,5-diazaspiro[3.4]octane-5-carboxylate DTXSID00677312 tert-butyl 2,5-diazaspiro(3.4)octane-5-carboxylate RefChem:892187 DTXCID00628061

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.77
TPSA
41.57

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
0.8
Consensus LogP
1.12
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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