![CAS 1245649-50-6 N-Boc-3-(hydroxyMethyl)-2-Oxa-8-azaspiro[4.5]decane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1245649-50-6.gif)
CAS RN: 1245649-50-6
N-Boc-3-(hydroxyMethyl)-2-Oxa-8-azaspiro[4.5]decane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250124 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1245649-50-6
- Purity/Analytical Methods: >99.0%
1245649-50-6 / tert-butyl 3-(hydroxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
1245649-50-6
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(OC2)CO
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-6-4-14(5-7-15)8-11(9-16)18-10-14/h11,16H,4-10H2,1-3H3
InChIKey
ALDMZOAPVQUUIX-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
70.92
TPSA
59
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
1.1
Consensus LogP
1.49
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
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)
-3.11
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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