[email protected]
CAS 1105664-04-7 2-Boc-7,9-dioxo-2,6-diazaspiro[3.5]nonane molecular structure lightbox
CAS RN: 1105664-04-7

2-Boc-7,9-dioxo-2,6-diazaspiro[3.5]nonane

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 100mg Out of stock Inquiry
Batchno.20251217 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20250521 250mg Out of stock Inquiry
  • Product code: SSC-011603
GET A QUOTE
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
Request Bulk Quote

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 1105664-04-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1105664-04-7 / tert-butyl 5,7-dioxo-2,8-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 7,9-dioxo-2,6-diazaspiro[3.5]nonane-2-carboxylate | 2-BOC-7,9-DIOXO-2,6-DIAZASPIRO[3.5]NONANE | MFCD13184430

Standard CAS: 1105664-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1105664-04-7
Multi CAS
No
Molecular Formula
C12H18N2O4
Molecular Weight
254.280000
Exact Mass
254.126657
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CC2=O
InChI
InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-6-12(7-14)5-13-9(16)4-8(12)15/h4-7H2,1-3H3,(H,13,16)
InChIKey
SHQCJMCHUZWOLL-UHFFFAOYSA-N
Synonyms
tert-butyl 7,9-dioxo-2,6-diazaspiro[3.5]nonane-2-carboxylate 2-BOC-7,9-DIOXO-2,6-DIAZASPIRO[3.5]NONANE MFCD13184430 tert-butyl 5,7-dioxo-2,8-diazaspiro[3.5]nonane-2-carboxylate SCHEMBL428982

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.87
TPSA
75.71

LogP / Solubility

WLOGP
0.31
MLOGP
0.28
XLogP3
-0.3
Consensus LogP
0.1
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us