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CAS 53882-12-5 Lodoxamide molecular structure lightbox
CAS RN: 53882-12-5

Lodoxamide

  • Product code: SSC-161281
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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: 0.1g
  • 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 53882-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

53882-12-5 / 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid

Standard CAS: 53882-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53882-12-5
Multi CAS
No
Molecular Formula
C11H6CLN3O6
Molecular Weight
311.630000
Exact Mass
310.994513
InChI
InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChIKey
RVGLGHVJXCETIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
68.7
TPSA
156.59

LogP / Solubility

WLOGP
0.26
MLOGP
0.24
XLogP3
0.5
Consensus LogP
0.33
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-4.44

Drug-likeness / Medicinal Chemistry

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

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