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CAS 74315-08-5 N-(2-bromophenethyl)acetamide molecular structure lightbox
CAS RN: 74315-08-5

N-(2-bromophenethyl)acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS74315-08-5
  • Purity/Analytical Methods: >99.0%
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74315-08-5 / N-[2-(2-bromophenyl)ethyl]acetamide

Standard CAS: 74315-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74315-08-5
Multi CAS
No
Molecular Formula
BC10H12ORn
Molecular Weight
242.110000
Exact Mass
241.010230
InChI
InChI=1S/C10H12BrNO/c1-8(13)12-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
VVSUNRPCFIIDQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.53
TPSA
29.1

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.69

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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