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CAS 1031927-11-3 2-Oxo-1,9-diaza-spiro[5.5]undec-3-ene-9-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1031927-11-3

2-Oxo-1,9-diaza-spiro[5.5]undec-3-ene-9-carboxylic acid tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 250mg Out of stock 30 business days Inquiry
  • Product code: SSC-004611
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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: 0.25g
  • 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 1031927-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1031927-11-3 / tert-butyl 2-oxo-1,9-diazaspiro[5.5]undec-3-ene-9-carboxylate

tert-butyl 2-oxo-1,9-diazaspiro[5.5]undec-3-ene-9-carboxylate | MFCD09998740 | 2-Oxo-1,9-diaza-spiro[5.5]undec-3-ene-9-carboxylic acid tert-butyl ester

Standard CAS: 1031927-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1031927-11-3
Multi CAS
No
Molecular Formula
C14H22N2O3
Molecular Weight
266.340000
Exact Mass
266.163043
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC=CC(=O)N2
InChI
InChI=1S/C14H22N2O3/c1-13(2,3)19-12(18)16-9-7-14(8-10-16)6-4-5-11(17)15-14/h4-5H,6-10H2,1-3H3,(H,15,17)
InChIKey
JBUOMDZZKABJBU-UHFFFAOYSA-N
Synonyms
tert-butyl 2-oxo-1,9-diazaspiro[5.5]undec-3-ene-9-carboxylate MFCD09998740 2-Oxo-1,9-diaza-spiro[5.5]undec-3-ene-9-carboxylic acid tert-butyl ester 9-Boc-1,9-diazaspiro[5.5]undec-3-en-2-one 2-Oxo-1,9-diazaspiro[5.5]undec-3-ene, N9-BOC protected

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.67
TPSA
58.64

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.4
Consensus LogP
1.62
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

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

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