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CAS 31121-93-4 IBUPROFEN SODIUM SALT molecular structure lightbox
CAS RN: 31121-93-4

IBUPROFEN SODIUM SALT

Product Availability

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251225 5g / 25g / 100g / 500g / 1kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260407 5g / 25g / 100g / 500g / 1kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251110 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-136378
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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: ≥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 31121-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

31121-93-4 / sodium 2-[4-(2-methylpropyl)phenyl]propanoate

Standard CAS: 31121-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31121-93-4
Multi CAS
No
Molecular Formula
C13H17NAO2
Molecular Weight
228.260000
Exact Mass
228.112624
InChI
InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
InChIKey
PTTPUWGBPLLBKW-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
58.41
TPSA
40.13

LogP / Solubility

WLOGP
-1.26
MLOGP
-1.1
XLogP3
-1.26
Consensus LogP
-1.21
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-5.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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