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CAS 438621-58-0 8-benzyl-1,3,8-triazaspiro[4.5]decan-2-one molecular structure lightbox
CAS RN: 438621-58-0

8-benzyl-1,3,8-triazaspiro[4.5]decan-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-151944
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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: 2
  • 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 438621-58-0
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% 0 Out of Stock Shenzhen Inquiry

438621-58-0 / 8-benzyl-1,3,8-triazaspiro[4.5]decan-2-one

Standard CAS: 438621-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
438621-58-0
Multi CAS
No
Molecular Formula
C14H19N3O
Molecular Weight
245.320000
Exact Mass
245.152812
InChI
InChI=1S/C14H19N3O/c18-13-15-11-14(16-13)6-8-17(9-7-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,16,18)
InChIKey
ZIILOBDVULJBMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.22
TPSA
44.37

LogP / Solubility

WLOGP
1.33
MLOGP
1.18
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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