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CAS 226721-96-6 Loxoprofen Sodium Salt Dihydrate molecular structure lightbox
CAS RN: 226721-96-6

Loxoprofen Sodium Salt Dihydrate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-110637
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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: 25g
  • 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 226721-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

226721-96-6 / sodium 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate

Standard CAS: 226721-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226721-96-6
Multi CAS
No
Molecular Formula
C15H17NaO3
Molecular Weight
268.280000
Exact Mass
268.107539
SMILES
CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].[Na+]
InChI
InChI=1S/C15H18O3.Na/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);/q;+1/p-1
InChIKey
WORCCYVLMMTGFR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
65.92
TPSA
57.2

LogP / Solubility

WLOGP
-1.54
MLOGP
-1.35
XLogP3
-1.54
Consensus LogP
-1.48
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.45

Drug-likeness / Medicinal Chemistry

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

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