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CAS 146407-32-1 1-BENZYL-3-OXOAZEPANE molecular structure lightbox
CAS RN: 146407-32-1

1-BENZYL-3-OXOAZEPANE

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250722 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260620 100mg In stock Shanghai Inquiry
Batchno.20250429 1g Out of stock Inquiry
Batchno.20250715 250mg In stock Shanghai Inquiry
  • Product code: SSC-057456
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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: 0.25g, 1g, 5g
  • Available purity: ≥96%
  • 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 146407-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥96% 0 Out of Stock Beijing Inquiry
1g ≥96% 0 Out of Stock Shanghai Inquiry
5g ≥96% 0 Out of Stock Beijing Inquiry

146407-32-1 / 1-benzylazepan-3-one

Standard CAS: 146407-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146407-32-1
Multi CAS
No
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
SMILES
C1CCN(CC(=O)C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKey
HGWZSFXXGQVVAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.58
TPSA
20.31

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2
Consensus LogP
2.07
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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