![CAS 1788054-69-2 tert-Butyl 2,7-diazaspiro[4.4]nonane-2-carboxylate oxalate(2:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788054-69-2.gif)
CAS RN: 1788054-69-2
tert-Butyl 2,7-diazaspiro[4.4]nonane-2-carboxylate oxalate(2:1)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-079613
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1788054-69-2 / bis(tert-butyl 2,7-diazaspiro[4.4]nonane-2-carboxylate);oxalic acid
Basic Information
CAS
1788054-69-2
Multi CAS
No
Molecular Formula
C26H46N4O8
Molecular Weight
542.700000
Exact Mass
542.331564
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCNC2.CC(C)(C)OC(=O)N1CCC2(C1)CCNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C12H22N2O2.C2H2O4/c2*1-11(2,3)16-10(15)14-7-5-12(9-14)4-6-13-8-12;3-1(4)2(5)6/h2*13H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
BGYVZWTVFPYPSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.85
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
139.96
TPSA
157.74
LogP / Solubility
WLOGP
2.37
MLOGP
2.13
XLogP3
2.37
Consensus LogP
2.29
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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