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CAS 1225286-62-3 2-(4-Thiazolyl)acetic Acid Hydrochloride molecular structure lightbox
CAS RN: 1225286-62-3

2-(4-Thiazolyl)acetic Acid Hydrochloride

  • Product code: SSC-025479
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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, 1g, 5g
  • 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 1225286-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1225286-62-3 / 2-(1,3-thiazol-4-yl)acetic acid;hydrochloride

Standard CAS: 1225286-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1225286-62-3
Multi CAS
No
Molecular Formula
C5H6ClNO2S
Molecular Weight
179.630000
Exact Mass
178.980777
SMILES
C1=C(N=CS1)CC(=O)O.Cl
InChI
InChI=1S/C5H5NO2S.ClH/c7-5(8)1-4-2-9-3-6-4;/h2-3H,1H2,(H,7,8);1H
InChIKey
XNWMOBQIRBVDBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.7
TPSA
50.19

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.19
Consensus LogP
1.14
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

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

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