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CAS 852339-03-8 tert-butyl 2,7-diazaspiro[4.5]decane-2-carboxylate(SALTDATA: FREE) molecular structure lightbox
CAS RN: 852339-03-8

tert-butyl 2,7-diazaspiro[4.5]decane-2-carboxylate(SALTDATA: FREE)

  • Product code: SSC-193512
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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 852339-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g -- 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry

852339-03-8 / 9-benzyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

Standard CAS: 852339-03-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
852339-03-8
Multi CAS
Yes
Molecular Formula
C21H24N2O
Molecular Weight
320.400000
Exact Mass
320.188863
InChI
InChI=1S/C21H24N2O/c24-20-21(13-15-23(20)19-10-5-2-6-11-19)12-7-14-22(17-21)16-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2
InChIKey
NBNIVFPKFYATOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
96.8
TPSA
23.55

LogP / Solubility

WLOGP
3.71
MLOGP
3.28
XLogP3
3.2
Consensus LogP
3.4
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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