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CAS 579-07-7 1-Phenyl-1,2-propanedione molecular structure lightbox
CAS RN: 579-07-7

1-Phenyl-1,2-propanedione

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250518 100g In stock Inquiry
Batchno.20260226 10g In stock Inquiry
Batchno.20251104 1g In stock Inquiry
Batchno.20251016 25g Out of stock Inquiry
Batchno.20250829 5g In stock Inquiry
  • Product code: SSC-166096
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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, 10g, 25g, 100g
  • Available purity: >98%
  • 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 579-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 0 Out of Stock Shenzhen Inquiry
10g >98% 0 Out of Stock Shanghai Inquiry
25g >98% 0 Out of Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Beijing Inquiry

579-07-7 / 1-phenylpropane-1,2-dione

Standard CAS: 579-07-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
579-07-7
Multi CAS
Yes
Molecular Formula
C9H8O2
Molecular Weight
148.160000
Exact Mass
148.052429
InChI
InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
BVQVLAIMHVDZEL-UHFFFAOYSA-N

Physical Properties

Melting Point
< 20 °C
Boiling Point
103.00 to 105.00 °C. @ 14.00 mm Hg
Density
1.096-1.116
Physical Description
Yellow liquid; Liquid yellow oily liquid with a pungent plastic odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
41.45
TPSA
34.14

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.7
Consensus LogP
1.48
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.59

Drug-likeness / Medicinal Chemistry

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

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