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CAS 117-37-3 2-P-ANISYL-1,3-INDANDIONE molecular structure lightbox
CAS RN: 117-37-3

2-P-ANISYL-1,3-INDANDIONE

Product Availability

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8 package records8 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250913 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250224 100mg In stock Shanghai Inquiry
Batchno.20250321 1g In stock Shanghai Inquiry
Batchno.20260122 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 100mg In stock Inquiry
Batchno.20250409 25mg In stock Inquiry
Batchno.20260116 500mg In stock Inquiry
  • Product code: SSC-016826
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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: 1g
  • Available purity: ≥95%
  • 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 117-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

117-37-3 / 2-(4-methoxyphenyl)indene-1,3-dione

anisindione | Miradon | 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione

Standard CAS: 117-37-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
117-37-3
Multi CAS
Yes
Molecular Formula
C16H12O3
Molecular Weight
252.260000
Exact Mass
252.078644
SMILES
COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChIKey
XRCFXMGQEVUZFC-UHFFFAOYSA-N
Synonyms
anisindione Miradon 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione Anisin indandione Unidone

Physical Properties

Melting Point
155-156 156-157 °C 156.5 °C
Physical Description
Solid
Appearance
Pale yellow crystals from acetic acid or ethanol FINE WHITE TO CREAM-WHITE CRYSTALLINE POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.84
TPSA
43.37

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.9
Consensus LogP
2.76
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-2.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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