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CAS 67056-04-6 Acetamide, 2-bromo-N-butyl- molecular structure lightbox
CAS RN: 67056-04-6

Acetamide, 2-bromo-N-butyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250322 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS67056-04-6
  • Purity/Analytical Methods: >99.0%
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67056-04-6 / 2-bromo-N-butylacetamide

Standard CAS: 67056-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67056-04-6
Multi CAS
No
Molecular Formula
BC6H12ORn
Molecular Weight
194.070000
Exact Mass
193.010230
InChI
InChI=1S/C6H12BrNO/c1-2-3-4-8-6(9)5-7/h2-5H2,1H3,(H,8,9)
InChIKey
FSIWKWBJLWSJFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.71
TPSA
29.1

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.2
Consensus LogP
1.21
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.98

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
1.5

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