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CAS 852338-81-9 2,7-Diazaspiro[4.5]decan-1-one, 2-phenyl-, (Hydrochloride) (1:1) molecular structure lightbox
CAS RN: 852338-81-9

2,7-Diazaspiro[4.5]decan-1-one, 2-phenyl-, (Hydrochloride) (1:1)

  • Product code: SSC-193511
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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, 5g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 852338-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

852338-81-9 / 2-phenyl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

Standard CAS: 852338-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852338-81-9
Multi CAS
No
Molecular Formula
C14H19CLN2O
Molecular Weight
266.760000
Exact Mass
266.118591
InChI
InChI=1S/C14H18N2O.ClH/c17-13-14(7-4-9-15-11-14)8-10-16(13)12-5-2-1-3-6-12;/h1-3,5-6,15H,4,7-11H2;1H
InChIKey
VXDTTYLRMFODJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.2
TPSA
32.34

LogP / Solubility

WLOGP
2.21
MLOGP
1.96
XLogP3
2.21
Consensus LogP
2.13
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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