[email protected]
CAS 14580-22-4 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone molecular structure lightbox
CAS RN: 14580-22-4

1-(2-Chlorophenyl)-3-methyl-5-pyrazolone

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250329 100g In stock Inquiry
Batchno.20251005 25g In stock Inquiry
Batchno.20251019 500g In stock Inquiry
Batchno.20250822 5g In stock Inquiry
  • Product code: SSC-057024
GET A QUOTE
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: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 14580-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

14580-22-4 / 2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-one

Standard CAS: 14580-22-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14580-22-4
Multi CAS
No
Molecular Formula
C10H9ClN2O
Molecular Weight
208.640000
Exact Mass
208.040341
SMILES
CC1=NN(C(=O)C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKey
CWESERWNUIUBJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.66
TPSA
32.67

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.25

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us