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CAS 73178-23-1 N-benzyl-2-iodobenzamide molecular structure lightbox
CAS RN: 73178-23-1

N-benzyl-2-iodobenzamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 1g / 5g / 10g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS73178-23-1
  • Purity/Analytical Methods: >99.0%
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73178-23-1 / N-benzyl-2-iodobenzamide

Standard CAS: 73178-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73178-23-1
Multi CAS
No
Molecular Formula
C14H12InO
Molecular Weight
337.150000
Exact Mass
336.996360
InChI
InChI=1S/C14H12INO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKey
OFHKXZHSHGGFNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
76.77
TPSA
29.1

LogP / Solubility

WLOGP
3.22
MLOGP
2.85
XLogP3
2.9
Consensus LogP
2.99
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

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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