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CAS 17617-34-4 sodiuM 2-(2-aMinophenyl)-2-oxoacetate molecular structure lightbox
CAS RN: 17617-34-4

sodiuM 2-(2-aMinophenyl)-2-oxoacetate

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250809 1g In stock Tianjin Inquiry
Batchno.20250426 250mg Out of stock Inquiry
Batchno.20260629 50mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260304 5g Out of stock Inquiry
  • Product code: SSC-077199
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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 17617-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

17617-34-4 / sodium 2-(2-aminophenyl)-2-oxoacetate

Standard CAS: 17617-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17617-34-4
Multi CAS
No
Molecular Formula
C8H6NNaO3
Molecular Weight
187.130000
Exact Mass
187.024537
SMILES
C1=CC=C(C(=C1)C(=O)C(=O)[O-])N.[Na+]
InChI
InChI=1S/C8H7NO3.Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4H,9H2,(H,11,12);/q;+1/p-1
InChIKey
XCFAFIKPWWFZPL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.19
TPSA
83.22

LogP / Solubility

WLOGP
-3.79
MLOGP
-3.34
XLogP3
-3.79
Consensus LogP
-3.64
Log S (ESOL)
1.18
Class (ESOL)
Highly soluble
Log S (Ali)
1.65
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.03
Class (SILICOS-IT)
Highly 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)
-6.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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