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CAS 3916-64-1 2,4-Heptadien-6-one (stabilized with HQ) molecular structure lightbox
CAS RN: 3916-64-1

2,4-Heptadien-6-one (stabilized with HQ)

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250501 1g In stock Inquiry
Batchno.20250721 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260109 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-146778
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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: 5g
  • Available purity: 0
  • 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 3916-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 0 0 Out of Stock Hong Kong Inquiry

3916-64-1 / hepta-3,5-dien-2-one

Standard CAS: 3916-64-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3916-64-1
Multi CAS
Yes
Molecular Formula
C7H10O
Molecular Weight
110.150000
Exact Mass
110.073165
InChI
InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6H,1-2H3
InChIKey
SWGLACWOVFCDQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
34.63
TPSA
17.07

LogP / Solubility

WLOGP
1.71
MLOGP
1.49
XLogP3
1.4
Consensus LogP
1.53
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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