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CAS 2703756-83-4 (5-BROMO-2-FLUOROPHENYL)(CYCLOPROPYL)METHANAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 2703756-83-4

(5-BROMO-2-FLUOROPHENYL)(CYCLOPROPYL)METHANAMINE HYDROCHLORIDE

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250117 100mg Out of stock Inquiry
Batchno.20251223 1g Out of stock Inquiry
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  • Product code: starshine_CAS2703756-83-4
  • Purity/Analytical Methods: >99.0%
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2703756-83-4 / (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride

Standard CAS: 2703756-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2703756-83-4
Multi CAS
No
Molecular Formula
C10H12BrClFN
Molecular Weight
280.560000
Exact Mass
278.982570
SMILES
C1CC1C(C2=C(C=CC(=C2)Br)F)N.Cl
InChI
InChI=1S/C10H11BrFN.ClH/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6;/h3-6,10H,1-2,13H2;1H
InChIKey
TZLKSCCRAJDNRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61
TPSA
26.02

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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