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CAS 74538-22-0 propanamide, 2-bromo-N-methyl- molecular structure lightbox
CAS RN: 74538-22-0

propanamide, 2-bromo-N-methyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74538-22-0
  • Purity/Analytical Methods: >99.0%
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74538-22-0 / 2-bromo-N-methylpropanamide

Standard CAS: 74538-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74538-22-0
Multi CAS
No
Molecular Formula
BC4H8ORn
Molecular Weight
166.020000
Exact Mass
164.978930
InChI
InChI=1S/C4H8BrNO/c1-3(5)4(7)6-2/h3H,1-2H3,(H,6,7)
InChIKey
ALSQAGFRBPHNIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.46
TPSA
29.1

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
0.7
Consensus LogP
0.56
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-3.37

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
2

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