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CAS 15069-43-9 5-Hexene-2,4-dione, 6-phenyl- molecular structure lightbox
CAS RN: 15069-43-9

5-Hexene-2,4-dione, 6-phenyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-060615
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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: 0.1g
  • Available purity: ＞97%
  • 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 15069-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry

15069-43-9 / (E)-6-phenylhex-5-ene-2,4-dione

Standard CAS: 15069-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15069-43-9
Multi CAS
No
Molecular Formula
C12H12O2
Molecular Weight
188.220000
Exact Mass
188.083730
SMILES
CC(=O)CC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C12H12O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3/b8-7+
InChIKey
OOKUSDZYOMYKEJ-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
55.78
TPSA
34.14

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-2.27

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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