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CAS 357426-13-2 1,3,4,5-Tetrahydro-1,5-methano-2H-3-benzazepin-2-one molecular structure lightbox
CAS RN: 357426-13-2

1,3,4,5-Tetrahydro-1,5-methano-2H-3-benzazepin-2-one

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251208 100mg In stock Tianjin Inquiry
Batchno.20251228 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250721 1g Out of stock Inquiry
Batchno.20251123 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS357426-13-2
  • Purity/Analytical Methods: >99.0%
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357426-13-2 / 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one

Standard CAS: 357426-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
357426-13-2
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
InChI
InChI=1S/C11H11NO/c13-11-10-5-7(6-12-11)8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2,(H,12,13)
InChIKey
DTPZUFKPINOVKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.55
TPSA
29.1

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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