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CAS 1291487-31-4 N-BOC-2-thia-6-azaspiro[3.3]heptane 2,2-dioxide molecular structure lightbox
CAS RN: 1291487-31-4

N-BOC-2-thia-6-azaspiro[3.3]heptane 2,2-dioxide

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250719 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260502 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260619 1g In stock Shanghai, Wuhan Inquiry
Batchno.20260528 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260118 5g Out of stock Inquiry
  • Product code: SSC-036312
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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: 1g
  • 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 1291487-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1291487-31-4 / tert-butyl 2,2-dioxo-2lambda6-thia-6-azaspiro[3.3]heptane-6-carboxylate

Standard CAS: 1291487-31-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1291487-31-4
Multi CAS
No
Molecular Formula
C10H17NO4S
Molecular Weight
247.310000
Exact Mass
247.087829
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C2
InChI
InChI=1S/C10H17NO4S/c1-9(2,3)15-8(12)11-4-10(5-11)6-16(13,14)7-10/h4-7H2,1-3H3
InChIKey
SZUIVGVHSGBMMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.89
TPSA
63.68

LogP / Solubility

WLOGP
0.65
MLOGP
0.58
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.81
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)
-3.77

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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