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CAS 38418-24-5 N-(4-BROMO-PHENYL)-3-OXO-BUTYRAMIDE molecular structure lightbox
CAS RN: 38418-24-5

N-(4-BROMO-PHENYL)-3-OXO-BUTYRAMIDE

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250420 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250406 250mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250113 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS38418-24-5
  • Purity/Analytical Methods: >99.0%
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38418-24-5 / N-(4-bromophenyl)-3-oxobutanamide

Standard CAS: 38418-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38418-24-5
Multi CAS
No
Molecular Formula
BC10H10O2Rn
Molecular Weight
256.100000
Exact Mass
254.989490
InChI
InChI=1S/C10H10BrNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
InChIKey
JIOJEVGOXBFZDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.07
TPSA
46.17

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

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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