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CAS 885280-71-7 7-BROMO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE molecular structure lightbox
CAS RN: 885280-71-7

7-BROMO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 100mg Out of stock Inquiry
Batchno.20260610 1g Out of stock Inquiry
Batchno.20250515 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS885280-71-7
  • Purity/Analytical Methods: >99.0%
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885280-71-7 / 7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine

Standard CAS: 885280-71-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885280-71-7
Multi CAS
No
Molecular Formula
BC10H12Rn
Molecular Weight
226.110000
Exact Mass
225.015310
InChI
InChI=1S/C10H12BrN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2
InChIKey
PNTPMWBRGXAFII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.14
TPSA
26.02

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
2.8
Consensus LogP
2.36
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
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)
-2.49

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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