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CAS 1440965-36-5 Acetamide, N-(5-fluoro-4-iodo-2-methylphenyl)- molecular structure lightbox
CAS RN: 1440965-36-5

Acetamide, N-(5-fluoro-4-iodo-2-methylphenyl)-

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250917 1g In stock Shanghai Inquiry
Batchno.20260401 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1440965-36-5
  • Purity/Analytical Methods: >99.0%
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1440965-36-5 / N-(5-fluoro-4-iodo-2-methylphenyl)acetamide

Standard CAS: 1440965-36-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1440965-36-5
Multi CAS
No
Molecular Formula
C9H9FINO
Molecular Weight
293.080000
Exact Mass
292.971290
SMILES
CC1=CC(=C(C=C1NC(=O)C)F)I
InChI
InChI=1S/C9H9FINO/c1-5-3-8(11)7(10)4-9(5)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKey
IVCNUUVUKIQUDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.16
TPSA
29.1

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.2
Consensus LogP
2.43
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

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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