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CAS 1118786-85-8 (2-Aza-spiro[3.3]hept-6-yl)-carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 1118786-85-8

(2-Aza-spiro[3.3]hept-6-yl)-carbamic acid tert-butyl ester

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250918 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251117 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260422 25g In stock Shanghai Inquiry
Batchno.20251217 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-012353
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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: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • 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 1118786-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
0.1g >97% 4 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry

1118786-85-8 / tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate

RefChem:1051824 | 1,1-Dimethylethyl N-2-azaspiro(3.3)hept-6-ylcarbamate | tert-Butyl 2-azaspiro[3.3]heptan-6-ylcarbamate

Standard CAS: 1118786-85-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1118786-85-8
Multi CAS
Yes
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CNC2
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-4-11(5-8)6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKey
CBYPCXLWNJUVLF-UHFFFAOYSA-N
Synonyms
RefChem:1051824 1,1-Dimethylethyl N-2-azaspiro(3.3)hept-6-ylcarbamate tert-Butyl 2-azaspiro[3.3]heptan-6-ylcarbamate tert-butyl 2-azaspiro[3.3]hept-6-ylcarbamate tert-butyl N-{2-azaspiro[3.3]heptan-6-yl}carbamate

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.69
TPSA
50.36

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
0.9
Consensus LogP
1.09
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.12

Drug-likeness / Medicinal Chemistry

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

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