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CAS 1118786-86-9 2-(Boc-amino)-6-oxospiro[… molecular structure lightbox
CAS RN: 1118786-86-9

2-(Boc-amino)-6-oxospiro[…

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251123 10g In stock Shanghai Inquiry
Batchno.20250724 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250418 250mg In stock Shanghai Inquiry
Batchno.20260101 25g In stock Shanghai Inquiry
Batchno.20250923 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-012354
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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 1118786-86-9
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 Beijing Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1118786-86-9 / tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate

tert-butyl N-{6-oxospiro[3.3]heptan-2-yl}carbamate | tert-butyl N-(6-oxospiro(3.3)heptan-2-yl)carbamate | TERT-BUTYL N-(6-OXOSPIRO[3.3]HEPTAN-2-YL)CARBAMATE

Standard CAS: 1118786-86-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1118786-86-9
Multi CAS
No
Molecular Formula
C12H19NO3
Molecular Weight
225.280000
Exact Mass
225.136493
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(=O)C2
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8H,4-7H2,1-3H3,(H,13,15)
InChIKey
HQXCHIODIJRHAT-UHFFFAOYSA-N
Synonyms
tert-butyl N-{6-oxospiro[3.3]heptan-2-yl}carbamate tert-butyl N-(6-oxospiro(3.3)heptan-2-yl)carbamate TERT-BUTYL N-(6-OXOSPIRO[3.3]HEPTAN-2-YL)CARBAMATE RefChem:896318 837-271-7

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.07
TPSA
55.4

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.1
Consensus LogP
1.63
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.66

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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