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CAS 7460-59-5 2-ACETAMIDO-4-(CHLOROMETHYL)THIAZOLE molecular structure lightbox
CAS RN: 7460-59-5

2-ACETAMIDO-4-(CHLOROMETHYL)THIAZOLE

  • Product code: SSC-184048
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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: 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 7460-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

7460-59-5 / N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide

Standard CAS: 7460-59-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7460-59-5
Multi CAS
Yes
Molecular Formula
C6H7CLN2OS
Molecular Weight
190.650000
Exact Mass
189.996762
InChI
InChI=1S/C6H7ClN2OS/c1-4(10)8-6-9-5(2-7)3-11-6/h3H,2H2,1H3,(H,8,9,10)
InChIKey
NBUKMHXINQOFDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.97
TPSA
41.99

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
0.9
Consensus LogP
1.45
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.58

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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