![CAS 2173992-48-6 bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173992-48-6.png)
CAS RN: 2173992-48-6
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-104962
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: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2173992-48-6 / bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
Basic Information
CAS
2173992-48-6
Multi CAS
No
Molecular Formula
C24H42N4O8
Molecular Weight
514.600000
Exact Mass
514.300264
SMILES
CC(C)(C)OC(=O)N1CCNCC12CC2.CC(C)(C)OC(=O)N1CCNCC12CC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C11H20N2O2.C2H2O4/c2*1-10(2,3)15-9(14)13-7-6-12-8-11(13)4-5-11;3-1(4)2(5)6/h2*12H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
WKRFVQBWZMOMMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
130.82
TPSA
157.74
LogP / Solubility
WLOGP
1.87
MLOGP
1.69
XLogP3
1.87
Consensus LogP
1.81
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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)
-4.53
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
6.5
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