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CAS 1859-33-2 1-METHYLAZEPAN-4-ONE molecular structure lightbox
CAS RN: 1859-33-2

1-METHYLAZEPAN-4-ONE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251223 100mg In stock Shanghai Inquiry
Batchno.20250701 10g In stock Shanghai Inquiry
Batchno.20250711 1g In stock Shanghai Inquiry
Batchno.20250920 250mg In stock Shanghai Inquiry
Batchno.20250712 5g In stock Shanghai Inquiry
  • Product code: SSC-086076
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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: ≥95%
  • 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 1859-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1859-33-2 / 1-methylazepan-4-one

Standard CAS: 1859-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1859-33-2
Multi CAS
No
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
SMILES
CN1CCCC(=O)CC1
InChI
InChI=1S/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3
InChIKey
HXCVYSRFFKEHEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
Molar refractivity
36.35
TPSA
20.31

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.1
Consensus LogP
0.45
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

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