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CAS 886766-44-5 tert-butyl 1,4-diazaspiro[5.5]undecane-4-carboxylate molecular structure lightbox
CAS RN: 886766-44-5

tert-butyl 1,4-diazaspiro[5.5]undecane-4-carboxylate

  • Product code: SSC-200142
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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: >97%
  • 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 886766-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

886766-44-5 / tert-butyl 1,4-diazaspiro[5.5]undecane-4-carboxylate

Standard CAS: 886766-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886766-44-5
Multi CAS
No
Molecular Formula
C14H26N2O2
Molecular Weight
254.370000
Exact Mass
254.199428
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-9-15-14(11-16)7-5-4-6-8-14/h15H,4-11H2,1-3H3
InChIKey
RZBXFLAQZAJBNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.63
TPSA
41.57

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
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)
-2.48

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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