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CAS 189954-96-9 Firocoxib molecular structure lightbox
CAS RN: 189954-96-9

Firocoxib

Product Availability

Choose a grade to view its available package options.

12 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250103 2mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260503 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250301 100mg In stock Shanghai Inquiry
Batchno.20260421 10g In stock Shanghai Inquiry
Batchno.20260313 10mg In stock Shanghai Inquiry
Batchno.20260609 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250331 1mg In stock Shanghai Inquiry
Batchno.20260308 250mg In stock Shanghai Inquiry
Batchno.20250621 2mg In stock Shanghai Inquiry
Batchno.20260412 50mg In stock Shanghai Inquiry
Batchno.20251022 5g In stock Shanghai Inquiry
Batchno.20250222 5mg In stock Shanghai Inquiry
  • Product code: SSC-088974
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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 189954-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

189954-96-9 / 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

Standard CAS: 189954-96-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
189954-96-9
Multi CAS
No
Molecular Formula
C17H20O5S
Molecular Weight
336.400000
Exact Mass
336.103145
SMILES
CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C
InChI
InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3
InChIKey
FULAPETWGIGNMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
85.32
TPSA
69.67

LogP / Solubility

WLOGP
2.56
MLOGP
2.27
XLogP3
2.2
Consensus LogP
2.34
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360 (33.3%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360D (33.3%): May damage the unborn child [Danger Reproductive toxicity] H361 (66.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P273, P280, P318, P319, P405, and P501

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