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CAS 66313-72-2 4-Thiazoleacetyl chloride, 2-amino-, monohydrochloride molecular structure lightbox
CAS RN: 66313-72-2

4-Thiazoleacetyl chloride, 2-amino-, monohydrochloride

  • Product code: SSC-175953
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66313-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry

66313-72-2 / 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride;hydrochloride

Standard CAS: 66313-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66313-72-2
Multi CAS
No
Molecular Formula
C5H6CL2N2OS
Molecular Weight
213.080000
Exact Mass
211.957789
InChI
InChI=1S/C5H5ClN2OS.ClH/c6-4(9)1-3-2-10-5(7)8-3;/h2H,1H2,(H2,7,8);1H
InChIKey
QOYSDZKXYFHSEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.34
TPSA
55.98

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.46
Consensus LogP
1.4
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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