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CAS 50-33-9 Phenylbutazone molecular structure lightbox
CAS RN: 50-33-9

Phenylbutazone

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250313 100g In stock Inquiry
Batchno.20250823 25g In stock Inquiry
Batchno.20260217 500g In stock Inquiry
Batchno.20250202 5g In stock Inquiry
  • Product code: SSC-156260
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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: 100g
  • 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 50-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

50-33-9 / 4-butyl-1,2-diphenylpyrazolidine-3,5-dione

Standard CAS: 50-33-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
50-33-9
Multi CAS
Yes
Molecular Formula
C19H20N2O2
Molecular Weight
308.400000
Exact Mass
308.152478
InChI
InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey
VYMDGNCVAMGZFE-UHFFFAOYSA-N

Physical Properties

Melting Point
219 to 225 °F (NTP, 1992) 105 °C MP: 140-141 °C (solidifies and remelts at approximately 180 °C) /Phenylbutazone piperazine salt/
Physical Description
Phenylbutazone appears as odorless white or off-white crystalline powder. Tasteless at first, but slightly bitter aftertaste. pH (aqueous solution) 8.2. (NTP, 1992) Solid
Appearance
Crystals from ethanol White or very-light-yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
90.87
TPSA
40.62

LogP / Solubility

WLOGP
3.79
MLOGP
3.35
XLogP3
3.2
Consensus LogP
3.45
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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