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CAS 790271-15-7 N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-(2-METHOXYPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 790271-15-7

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

  • Product code: SSC-188246
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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 790271-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

790271-15-7 / N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide

Standard CAS: 790271-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
790271-15-7
Multi CAS
No
Molecular Formula
C13H13CLN2O2S
Molecular Weight
296.770000
Exact Mass
296.038627
InChI
InChI=1S/C13H13ClN2O2S/c1-9(17)16(13-15-10(7-14)8-19-13)11-5-3-4-6-12(11)18-2/h3-6,8H,7H2,1-2H3
InChIKey
HDFBSKTWAIWYMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
77.49
TPSA
42.43

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
2.6
Consensus LogP
3.11
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-1.99

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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