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CAS 74315-07-4 N-(2-BROMOBENZYL)ACETAMIDE molecular structure lightbox
CAS RN: 74315-07-4

N-(2-BROMOBENZYL)ACETAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74315-07-4
  • Purity/Analytical Methods: >99.0%
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74315-07-4 / N-[(2-bromophenyl)methyl]acetamide

Standard CAS: 74315-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74315-07-4
Multi CAS
No
Molecular Formula
BC9H10ORn
Molecular Weight
228.090000
Exact Mass
226.994580
InChI
InChI=1S/C9H10BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
BWFCPQHLMPFBQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.66
TPSA
29.1

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.7
Consensus LogP
1.88
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

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

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