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CAS 760171-71-9 (1S)-1-(3-BROMOPHENYL)PROPYLAMINE molecular structure lightbox
CAS RN: 760171-71-9

(1S)-1-(3-BROMOPHENYL)PROPYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS760171-71-9
  • Purity/Analytical Methods: >99.0%
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760171-71-9 / 1-(3-bromophenyl)propan-1-amine

Standard CAS: 760171-71-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
760171-71-9
Multi CAS
Yes
Molecular Formula
BC9H12Rn
Molecular Weight
214.100000
Exact Mass
213.015310
InChI
InChI=1S/C9H12BrN/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9H,2,11H2,1H3
InChIKey
MDAOMTRNTRIGOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.36
TPSA
26.02

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.4
Consensus LogP
2.59
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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

Drug-likeness / Medicinal Chemistry

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

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