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CAS 169590-42-5 Celecoxib molecular structure lightbox
CAS RN: 169590-42-5

Celecoxib

Product Availability

Choose a grade to view its available package options.

10 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260608 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251213 100g Out of stock 8-10 business days Inquiry
Batchno.20260627 25g Out of stock 1 business days Inquiry
Batchno.20250121 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 100g Out of stock Inquiry
Batchno.20250726 100mg Out of stock Inquiry
Batchno.20260523 10g In stock Inquiry
Batchno.20250928 25g In stock Inquiry
Batchno.20250311 500g Out of stock Inquiry
Batchno.20250907 5g In stock Inquiry
  • Product code: SSC-074183
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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: 5g, 10g, 25g, 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 169590-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

169590-42-5 / 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Standard CAS: 169590-42-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
169590-42-5
Multi CAS
No
Molecular Formula
C17H14F3N3O2S
Molecular Weight
381.400000
Exact Mass
381.075882
SMILES
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKey
RZEKVGVHFLEQIL-UHFFFAOYSA-N

Physical Properties

Melting Point
157-159 157-159 °C 101.7 - 103.9 °C
Boiling Point
529.0±60.0
Physical Description
Solid
Appearance
Pale yellow solid
State
Solid
Storage Conditions
Store at room temperature 20 °C to 25 °C (68 °F to 77 °F); excursions permitted between 15 °C to 30 °C (59 °F to 86 °F).

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.11
TPSA
77.98

LogP / Solubility

WLOGP
3.51
MLOGP
3.11
XLogP3
3.4
Consensus LogP
3.34
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H317 (11.9%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (12.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (82.4%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360: May damage fertility or the unborn child [Danger Reproductive toxicity] H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P333+P317, P337+P317, P362+P364, P405, and P501 P203, P273, P280, P318, P391, P405, and P501

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