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CAS 1041026-70-3 tert-Butyl 2,6-Diazaspiro[3.3]heptane-2-carboxylate molecular structure lightbox
CAS RN: 1041026-70-3

tert-Butyl 2,6-Diazaspiro[3.3]heptane-2-carboxylate

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 100g In stock Shanghai Inquiry
Batchno.20260104 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250416 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260525 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260310 25g In stock Shanghai Inquiry
Batchno.20250217 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-005877
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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, 10g, 25g
  • Available purity: >90%
  • Inventory rows with stock: 6
  • 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 1041026-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >90% 2 In Stock Shenzhen Inquiry
0.25g >90% 2 In Stock Shenzhen Inquiry
1g >90% 2 In Stock Shenzhen Inquiry
5g >90% 2 In Stock Shanghai Inquiry
10g >90% 2 In Stock Shanghai Inquiry
25g >90% 2 In Stock Hong Kong Inquiry

1041026-70-3 / tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate

2-BOC-2,6-DIAZASPIRO[3.3]HEPTANE | 2-Boc-2,6-diazaspiro(3.3)heptane | 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate

Standard CAS: 1041026-70-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1041026-70-3
Multi CAS
Yes
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CNC2
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10/h11H,4-7H2,1-3H3
InChIKey
KVOUHLVOTMOJBS-UHFFFAOYSA-N
Synonyms
2-BOC-2,6-DIAZASPIRO[3.3]HEPTANE 2-Boc-2,6-diazaspiro(3.3)heptane 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate 1,1-Dimethylethyl 2,6-diazaspiro(3.3)heptane-2-carboxylate RefChem:465738

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.11
TPSA
41.57

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-3.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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