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CAS RN: 1184914-09-7
N-BOC-1,4-DIOXASPIRO[4,5]DECANE-8-METHANAMINE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1184914-09-7
- Purity/Analytical Methods: >99.0%
1184914-09-7 / tert-butyl N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)carbamate
N-boc-1,4-dioxaspiro[4,5]decane-8-methanamine | MFCD12911598 | tert-Butyl (1,4-dioxaspiro[4.5]decan-8-ylmethyl)carbamate
Basic Information
CAS
1184914-09-7
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)(C)OC(=O)NCC1CCC2(CC1)OCCO2
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(16)15-10-11-4-6-14(7-5-11)17-8-9-18-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKey
XSGWDGLBPOOUPK-UHFFFAOYSA-N
Synonyms
N-boc-1,4-dioxaspiro[4,5]decane-8-methanamine
MFCD12911598
tert-Butyl (1,4-dioxaspiro[4.5]decan-8-ylmethyl)carbamate
tert-butyl N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)carbamate
AKOS015900582
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.83
TPSA
56.79
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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