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CAS 1049730-83-7 TERT-BUTYL 5-OXO-1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 1049730-83-7

TERT-BUTYL 5-OXO-1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250608 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-006730
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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 1049730-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1049730-83-7 / tert-butyl 8-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate

TERT-BUTYL 5-OXO-1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLATE | DTXSID40681034 | tert-Butyl 5-oxo-1,6-diazaspiro(3.4)octane-1-carboxylate

Standard CAS: 1049730-83-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1049730-83-7
Multi CAS
Yes
Molecular Formula
C11H18N2O3
Molecular Weight
226.270000
Exact Mass
226.131742
SMILES
CC(C)(C)OC(=O)N1CCC12CCNC2=O
InChI
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-7-5-11(13)4-6-12-8(11)14/h4-7H2,1-3H3,(H,12,14)
InChIKey
NPGRDRVURHCUPW-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 5-OXO-1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLATE DTXSID40681034 tert-Butyl 5-oxo-1,6-diazaspiro(3.4)octane-1-carboxylate RefChem:383682 DTXCID10631783

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.91
TPSA
58.64

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
0.6
Consensus LogP
0.76
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.87
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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, 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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