CAS RN: 1160246-95-6
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1160246-95-6
- Purity/Analytical Methods: >99.0%
1160246-95-6 / 8-O-tert-butyl 2-O-methyl 1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxylate
8-TERT-BUTYL 2-METHYL 1-OXA-8-AZASPIRO[4.5]DECANE-2,8-DICARBOXYLATE | 8-tert-Butyl 2-methyl 1-oxa-8-azaspiro-[4.5]decane-2,8-dicarboxylate | MFCD12198533
Basic Information
CAS
1160246-95-6
Multi CAS
No
Molecular Formula
C15H25NO5
Molecular Weight
299.360000
Exact Mass
299.173273
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(O2)C(=O)OC)CC1
InChI
InChI=1S/C15H25NO5/c1-14(2,3)21-13(18)16-9-7-15(8-10-16)6-5-11(20-15)12(17)19-4/h11H,5-10H2,1-4H3
InChIKey
AAKXXTYECWMWHH-UHFFFAOYSA-N
Synonyms
8-TERT-BUTYL 2-METHYL 1-OXA-8-AZASPIRO[4.5]DECANE-2,8-DICARBOXYLATE
8-tert-Butyl 2-methyl 1-oxa-8-azaspiro-[4.5]decane-2,8-dicarboxylate
MFCD12198533
8-O-tert-butyl 2-O-methyl 1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxylate
O8-tert-butyl O2-methyl 1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxylate
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
75.9
TPSA
65.07
LogP / Solubility
WLOGP
2.11
MLOGP
1.87
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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