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CAS 16853-08-0 1-Benzylazocan-5-one molecular structure lightbox
CAS RN: 16853-08-0

1-Benzylazocan-5-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-073430
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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 16853-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

16853-08-0 / 1-benzylazocan-5-one

Standard CAS: 16853-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16853-08-0
Multi CAS
No
Molecular Formula
C14H19NO
Molecular Weight
217.310000
Exact Mass
217.146664
SMILES
C1CC(=O)CCCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c16-14-8-4-10-15(11-5-9-14)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2
InChIKey
BLVRIFLULZGBNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.19
TPSA
20.31

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
1.9
Consensus LogP
2.28
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.18

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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