![CAS 1373028-78-4 Tert-Butyl 2-(Hydroxymethyl)-1-Oxa-8-Azaspiro[4.5]Decane-8-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373028-78-4.gif)
CAS RN: 1373028-78-4
Tert-Butyl 2-(Hydroxymethyl)-1-Oxa-8-Azaspiro[4.5]Decane-8-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.20260124 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1373028-78-4
- Purity/Analytical Methods: >99.0%
1373028-78-4 / tert-butyl 2-(hydroxymethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
1373028-78-4
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(O2)CO)CC1
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-8-6-14(7-9-15)5-4-11(10-16)18-14/h11,16H,4-10H2,1-3H3
InChIKey
CDYKLWYIDSDHBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.96
TPSA
59
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.2
Consensus LogP
1.61
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-3.01
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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![CAS 1373028-86-4 Cis-Tert-Butyl 1-(Hydroxymethyl)-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate(WX111246) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373028-86-4(2).gif)
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