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CAS 17372-52-0 4,6-DIPHENYL-2-PYRONE molecular structure lightbox
CAS RN: 17372-52-0

4,6-DIPHENYL-2-PYRONE

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260618 100mg In stock Inquiry
Batchno.20250331 250mg Out of stock Inquiry
  • Product code: starshine_CAS17372-52-0
  • Purity/Analytical Methods: >99.0%
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17372-52-0 / 4,6-diphenylpyran-2-one

Standard CAS: 17372-52-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17372-52-0
Multi CAS
No
Molecular Formula
C17H12O2
Molecular Weight
248.270000
Exact Mass
248.083730
SMILES
C1=CC=C(C=C1)C2=CC(=O)OC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H12O2/c18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14/h1-12H
InChIKey
DDGIHXFDWLCKRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.85
TPSA
30.21

LogP / Solubility

WLOGP
3.97
MLOGP
3.5
XLogP3
3.6
Consensus LogP
3.69
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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