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CAS 25039-77-4 5-Thiazolecarboxylicacid,2-amino-4-(hydroxymethyl)-,ethylester(7CI,8CI,9CI) molecular structure lightbox
CAS RN: 25039-77-4

5-Thiazolecarboxylicacid,2-amino-4-(hydroxymethyl)-,ethylester(7CI,8CI,9CI)

  • Product code: SSC-120505
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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 25039-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

25039-77-4 / ethyl 2-amino-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate

Standard CAS: 25039-77-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25039-77-4
Multi CAS
No
Molecular Formula
C7H10N2O3S
Molecular Weight
202.230000
Exact Mass
202.041213
SMILES
CCOC(=O)C1=C(N=C(S1)N)CO
InChI
InChI=1S/C7H10N2O3S/c1-2-12-6(11)5-4(3-10)9-7(8)13-5/h10H,2-3H2,1H3,(H2,8,9)
InChIKey
WBYRGTSHEKSBKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
48.41
TPSA
85.44

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.3
Consensus LogP
0.35
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.67

Drug-likeness / Medicinal Chemistry

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

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