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CAS 1086398-02-8 2-Boc-2,5-diazaspiro[3.4]… molecular structure lightbox
CAS RN: 1086398-02-8

2-Boc-2,5-diazaspiro[3.4]…

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250526 10g In stock Shanghai Inquiry
Batchno.20250827 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250618 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250321 5g In stock Shanghai Inquiry
  • Product code: SSC-009948
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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 1086398-02-8
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 Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1086398-02-8 / tert-butyl 2,5-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 2,5-diazaspiro[3.4]octane-2-carboxylate | DTXSID70679409 | tert-Butyl 2,5-diazaspiro(3.4)octane-2-carboxylate

Standard CAS: 1086398-02-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1086398-02-8
Multi CAS
Yes
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCCN2
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-11(8-13)5-4-6-12-11/h12H,4-8H2,1-3H3
InChIKey
YSRVDGYYECHRCC-UHFFFAOYSA-N
Synonyms
tert-butyl 2,5-diazaspiro[3.4]octane-2-carboxylate DTXSID70679409 tert-Butyl 2,5-diazaspiro(3.4)octane-2-carboxylate RefChem:383129 DTXCID90630158

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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