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CAS 91714-93-1 Bromfenac sodium molecular structure lightbox
CAS RN: 91714-93-1

Bromfenac sodium

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong, Shandong Inquiry
  • Product code: SSC-205117
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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: 0.25g
  • 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 91714-93-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

91714-93-1 / sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate

Standard CAS: 91714-93-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91714-93-1
Multi CAS
Yes
Molecular Formula
C15H11BRNNAO3
Molecular Weight
356.150000
Exact Mass
354.982000
InChI
InChI=1S/C15H12BrNO3.Na/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;/h1-7H,8,17H2,(H,18,19);/q;+1/p-1
InChIKey
HZFGMQJYAFHESD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.14
TPSA
83.22

LogP / Solubility

WLOGP
-1.44
MLOGP
-1.25
XLogP3
-1.44
Consensus LogP
-1.38
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-5.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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