![CAS 1160247-14-2 Tert-Butyl 1-Carbamoyl-6-Azaspiro[2.5]Octane-6-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-14-2.gif)
CAS RN: 1160247-14-2
Tert-Butyl 1-Carbamoyl-6-Azaspiro[2.5]Octane-6-Carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250425 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1160247-14-2
- Purity/Analytical Methods: >99.0%
1160247-14-2 / tert-butyl 2-carbamoyl-6-azaspiro[2.5]octane-6-carboxylate
TERT-BUTYL 1-CARBAMOYL-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLATE | tert-Butyl 1-carbamoyl-6-azaspiro-[2.5]octane-6-carboxylate | MFCD12198551
Basic Information
CAS
1160247-14-2
Multi CAS
No
Molecular Formula
C13H22N2O3
Molecular Weight
254.330000
Exact Mass
254.163043
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(=O)N
InChI
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-13(5-7-15)8-9(13)10(14)16/h9H,4-8H2,1-3H3,(H2,14,16)
InChIKey
HQXARKCBWUAVTN-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 1-CARBAMOYL-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLATE
tert-Butyl 1-carbamoyl-6-azaspiro-[2.5]octane-6-carboxylate
MFCD12198551
tert-butyl 2-carbamoyl-6-azaspiro[2.5]octane-6-carboxylate
SCHEMBL16375229
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.78
TPSA
72.63
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
0.7
Consensus LogP
1.18
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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