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CAS 40124-27-4 2-bromo-N,N-dibutylacetamide molecular structure lightbox
CAS RN: 40124-27-4

2-bromo-N,N-dibutylacetamide

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250618 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250429 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS40124-27-4
  • Purity/Analytical Methods: >99.0%
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40124-27-4 / 2-bromo-N,N-dibutylacetamide

Standard CAS: 40124-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40124-27-4
Multi CAS
No
Molecular Formula
BC10H20ORn
Molecular Weight
250.180000
Exact Mass
249.072830
InChI
InChI=1S/C10H20BrNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3
InChIKey
UQISDSAIAARTPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
60.19
TPSA
20.31

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

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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