CAS RN: 60-80-0
Antipyrine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-168571
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: 500g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
60-80-0 / 1,5-dimethyl-2-phenylpyrazol-3-one
Basic Information
CAS
60-80-0
Multi CAS
Yes
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
InChI
InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
VEQOALNAAJBPNY-UHFFFAOYSA-N
Physical Properties
Melting Point
114 °C
113 °C
Boiling Point
319 °C
Density
Relative density (water = 1): 1.19
Physical Description
Solid
COLOURLESS CRYSTALS OR WHITE POWDER.
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
55.75
TPSA
26.93
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
0.4
Consensus LogP
1.06
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
