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CAS 4096-34-8 cyclohex-3-en-1-one molecular structure lightbox
CAS RN: 4096-34-8

cyclohex-3-en-1-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-149351
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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 4096-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4096-34-8 / cyclohex-3-en-1-one

Standard CAS: 4096-34-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4096-34-8
Multi CAS
Yes
Molecular Formula
C6H8O
Molecular Weight
96.130000
Exact Mass
96.057515
InChI
InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2H,3-5H2
InChIKey
VNLZLLDMKRKVEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
28
TPSA
17.07

LogP / Solubility

WLOGP
1.3
MLOGP
1.13
XLogP3
0.8
Consensus LogP
1.08
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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