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CAS 1341035-92-4 Tert-Butyl 3-(Aminomethyl)-1-Oxa-7-Azaspiro[4.4]Nonane-7-Carboxylate(WX100701) molecular structure lightbox
CAS RN: 1341035-92-4

Tert-Butyl 3-(Aminomethyl)-1-Oxa-7-Azaspiro[4.4]Nonane-7-Carboxylate(WX100701)

  • Product code: SSC-041383
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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
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1341035-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1341035-92-4 / tert-butyl 3-(aminomethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

Standard CAS: 1341035-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341035-92-4
Multi CAS
No
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(CO2)CN
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-5-4-13(9-15)6-10(7-14)8-17-13/h10H,4-9,14H2,1-3H3
InChIKey
HIIRWGRMPFSSLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.27
TPSA
64.79

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
0.4
Consensus LogP
0.99
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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