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CAS 849234-64-6 4-acetamido-N-(2-amino-5-(thiophen-2-yl)phenyl)benzamide molecular structure lightbox
CAS RN: 849234-64-6

4-acetamido-N-(2-amino-5-(thiophen-2-yl)phenyl)benzamide

  • Product code: SSC-192683
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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 849234-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

849234-64-6 / 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide

Standard CAS: 849234-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849234-64-6
Multi CAS
No
Molecular Formula
C19H17N3O2S
Molecular Weight
351.400000
Exact Mass
351.104148
InChI
InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
InChIKey
ABZSPJVXTTUFAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
102.87
TPSA
84.22

LogP / Solubility

WLOGP
4.21
MLOGP
3.72
XLogP3
2.6
Consensus LogP
3.51
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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