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CAS 1160246-99-0 tert-Butyl 3-(aMinoMethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate molecular structure lightbox
CAS RN: 1160246-99-0

tert-Butyl 3-(aMinoMethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate

  • Product code: SSC-016072
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1160246-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1160246-99-0 / tert-butyl 3-(aminomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate

TERT-BUTYL 3-(AMINOMETHYL)-2-OXA-9-AZASPIRO[5.5]UNDECANE-9-CARBOXYLATE | MFCD12198537 | tert-Butyl 3-(aminomethyl)-2-oxa-9-azaspiro-[5.5]undecane-9-carboxylate

Standard CAS: 1160246-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160246-99-0
Multi CAS
No
Molecular Formula
C15H28N2O3
Molecular Weight
284.390000
Exact Mass
284.209993
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(OC2)CN)CC1
InChI
InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-8-6-15(7-9-17)5-4-12(10-16)19-11-15/h12H,4-11,16H2,1-3H3
InChIKey
PIQKTGXRLAEQBB-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 3-(AMINOMETHYL)-2-OXA-9-AZASPIRO[5.5]UNDECANE-9-CARBOXYLATE MFCD12198537 tert-Butyl 3-(aminomethyl)-2-oxa-9-azaspiro-[5.5]undecane-9-carboxylate 2-Oxa-9-azaspiro[5.5]undecane-9-carboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester 9-Boc-2-oxa-9-azaspiro[5.5]undecane-3-methanamine

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.5
TPSA
64.79

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
1.2
Consensus LogP
1.74
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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