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CAS 35447-83-7 N-(4-ethynylphenyl)acetamide molecular structure lightbox
CAS RN: 35447-83-7

N-(4-ethynylphenyl)acetamide

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260216 100mg In stock Shanghai Inquiry
Batchno.20250323 1g In stock Shanghai Inquiry
Batchno.20260111 250mg In stock Shanghai Inquiry
Batchno.20250121 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251010 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS35447-83-7
  • Purity/Analytical Methods: >99.0%
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35447-83-7 / N-(4-ethynylphenyl)acetamide

Standard CAS: 35447-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35447-83-7
Multi CAS
No
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
InChI
InChI=1S/C10H9NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h1,4-7H,2H3,(H,11,12)
InChIKey
HZEDCCWIEHFCPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.68
TPSA
29.1

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.6
Consensus LogP
1.55
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.54

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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