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CAS 771499-43-5 N-(3,4-DIMETHYLPHENYL)-N-(4-FORMYL-1,3-THIAZOL-2-YL)ACETAMIDE molecular structure lightbox
CAS RN: 771499-43-5

N-(3,4-DIMETHYLPHENYL)-N-(4-FORMYL-1,3-THIAZOL-2-YL)ACETAMIDE

  • Product code: SSC-186607
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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
  • 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 771499-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

771499-43-5 / N-(3,4-dimethylphenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide

Standard CAS: 771499-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
771499-43-5
Multi CAS
No
Molecular Formula
C14H14N2O2S
Molecular Weight
274.340000
Exact Mass
274.077599
InChI
InChI=1S/C14H14N2O2S/c1-9-4-5-13(6-10(9)2)16(11(3)18)14-15-12(7-17)8-19-14/h4-8H,1-3H3
InChIKey
GFBKUHGQMJFCDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
76.24
TPSA
50.27

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
2.7
Consensus LogP
2.95
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

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