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CAS 58905-44-5 N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-PHENYLACETAMIDE molecular structure lightbox
CAS RN: 58905-44-5

N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-PHENYLACETAMIDE

  • Product code: SSC-167273
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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: 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 58905-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

58905-44-5 / N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-phenylacetamide

Standard CAS: 58905-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58905-44-5
Multi CAS
No
Molecular Formula
C12H11CLN2OS
Molecular Weight
266.750000
Exact Mass
266.028062
InChI
InChI=1S/C12H11ClN2OS/c1-9(16)15(11-5-3-2-4-6-11)12-14-10(7-13)8-17-12/h2-6,8H,7H2,1H3
InChIKey
ZVNIZGVXMHETAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
70.93
TPSA
33.2

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
2.6
Consensus LogP
3.11
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

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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