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CAS 1021-25-6 1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE molecular structure lightbox
CAS RN: 1021-25-6

1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251216 1g In stock Shanghai Inquiry
Batchno.20251015 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250304 5g Out of stock Inquiry
  • Product code: SSC-003354
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1021-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1021-25-6 / 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one | Spirodecanone | DTXSID00144635

Standard CAS: 1021-25-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1021-25-6
Multi CAS
Yes
Molecular Formula
C13H17N3O
Molecular Weight
231.290000
Exact Mass
231.137162
SMILES
C1CNCCC12C(=O)NCN2C3=CC=CC=C3
InChI
InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
InChIKey
HTQWGIHCFPWKAS-UHFFFAOYSA-N
Synonyms
1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one Spirodecanone DTXSID00144635 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one RefChem:888842

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.77
TPSA
44.37

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.8
Consensus LogP
0.71
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-3.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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