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CAS 14372-07-7 N-(3-bromophenyl)cyclopropanecarboxamide molecular structure lightbox
CAS RN: 14372-07-7

N-(3-bromophenyl)cyclopropanecarboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14372-07-7
  • Purity/Analytical Methods: >99.0%
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14372-07-7 / N-(3-bromophenyl)cyclopropanecarboxamide

Standard CAS: 14372-07-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14372-07-7
Multi CAS
No
Molecular Formula
C10H10BrNO
Molecular Weight
240.100000
Exact Mass
238.994580
SMILES
C1CC1C(=O)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C10H10BrNO/c11-8-2-1-3-9(6-8)12-10(13)7-4-5-7/h1-3,6-7H,4-5H2,(H,12,13)
InChIKey
XOJAPHKOMSHQEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.5
TPSA
29.1

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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