![CAS 1194374-77-0 tert-butyl 6-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1194374-77-0.gif)
CAS RN: 1194374-77-0
tert-butyl 6-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
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.20250518 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-019975
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
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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1194374-77-0 / tert-butyl 6-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
tert-butyl (6S)-6-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate | tert-Butyl (S)-6-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate | starbld0044371
Basic Information
CAS
1194374-77-0
Multi CAS
Yes
Molecular Formula
C13H24N2O2
Molecular Weight
240.340000
Exact Mass
240.183778
SMILES
CC1CC2(CCN1)CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O2/c1-10-7-13(5-6-14-10)8-15(9-13)11(16)17-12(2,3)4/h10,14H,5-9H2,1-4H3
InChIKey
YGDKCDSMRAWJHY-UHFFFAOYSA-N
Synonyms
tert-butyl (6S)-6-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
tert-Butyl (S)-6-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
starbld0044371
AKOS015899498
F90246
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.94
TPSA
41.57
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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