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CAS 120-46-7 1,3-Diphenyl-1,3-propanedione molecular structure lightbox
CAS RN: 120-46-7

1,3-Diphenyl-1,3-propanedione

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251127 1kg In stock Shanghai Inquiry
Batchno.20250228 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260519 500g In stock Shanghai, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260409 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-020790
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
500g ≥98% 2 In Stock Hong Kong Inquiry

120-46-7 / 1,3-diphenylpropane-1,3-dione

Dibenzoylmethane | 1,3-Diphenylpropane-1,3-dione | 1,3-DIPHENYL-1,3-PROPANEDIONE

Standard CAS: 120-46-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120-46-7
Multi CAS
Yes
Molecular Formula
C15H12O2
Molecular Weight
224.250000
Exact Mass
224.083730
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
NZZIMKJIVMHWJC-UHFFFAOYSA-N
Synonyms
Dibenzoylmethane 1,3-Diphenylpropane-1,3-dione 1,3-DIPHENYL-1,3-PROPANEDIONE 1,3-Propanedione, 1,3-diphenyl- 2-Benzoylacetophenone

Physical Properties

Physical Description
Dry Powder, Pellets or Large Crystals; Dry Powder Solid; [Merck Index] Light yellow crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
66.16
TPSA
34.14

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (66.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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