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CAS 58473-74-8 TRANS-3-BROMO-N-ETHYLCINNAMAMIDE molecular structure lightbox
CAS RN: 58473-74-8

TRANS-3-BROMO-N-ETHYLCINNAMAMIDE

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250708 10g Out of stock Inquiry
Batchno.20251208 1g In stock Shanghai Inquiry
Batchno.20250206 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260516 5g In stock Shanghai, Chengdu Inquiry
  • Product code: starshine_CAS58473-74-8
  • Purity/Analytical Methods: >99.0%
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58473-74-8 / 3-(3-bromophenyl)-N-ethylprop-2-enamide

Standard CAS: 58473-74-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58473-74-8
Multi CAS
Yes
Molecular Formula
BC11H12ORn
Molecular Weight
254.120000
Exact Mass
253.010230
InChI
InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+
InChIKey
LDCXGZCEMNMWIL-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.86
TPSA
29.1

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.7
Consensus LogP
2.53
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.43

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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