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CAS 785782-25-4 8-BENZYL-1,2,8-TRIAZASPIRO[4.5]DECAN-3-ONE molecular structure lightbox
CAS RN: 785782-25-4

8-BENZYL-1,2,8-TRIAZASPIRO[4.5]DECAN-3-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250501 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS785782-25-4
  • Purity/Analytical Methods: >99.0%
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785782-25-4 / 8-benzyl-1,2,8-triazaspiro[4.5]decan-3-one

Standard CAS: 785782-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
785782-25-4
Multi CAS
No
Molecular Formula
C14H19N3O
Molecular Weight
245.320000
Exact Mass
245.152812
InChI
InChI=1S/C14H19N3O/c18-13-10-14(16-15-13)6-8-17(9-7-14)11-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,15,18)
InChIKey
GAWGGDNMPCOVJM-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
3
H-bond donors
2
Molar refractivity
69.58
TPSA
44.37

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.47

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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