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CAS 80544-17-8 (Z)-2-(Methoxycarbonylmethoxyimino)-2-(2-aminothiazol-4-yl)acetic acid molecular structure lightbox
CAS RN: 80544-17-8

(Z)-2-(Methoxycarbonylmethoxyimino)-2-(2-aminothiazol-4-yl)acetic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-189342
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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: 500g
  • 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 80544-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

80544-17-8 / (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-methoxy-2-oxoethoxy)iminoacetic acid

Standard CAS: 80544-17-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80544-17-8
Multi CAS
Yes
Molecular Formula
C8H9N3O5S
Molecular Weight
259.240000
Exact Mass
259.026292
InChI
InChI=1S/C8H9N3O5S/c1-15-5(12)2-16-11-6(7(13)14)4-3-17-8(9)10-4/h3H,2H2,1H3,(H2,9,10)(H,13,14)/b11-6-
InChIKey
AGFYEFQBXHONNW-WDZFZDKYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
58.67
TPSA
124.1

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.25
XLogP3
0.9
Consensus LogP
0.12
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.51

Drug-likeness / Medicinal Chemistry

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

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