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CAS 1213003-24-7 (1R)-6-BROMO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE molecular structure lightbox
CAS RN: 1213003-24-7

(1R)-6-BROMO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1213003-24-7
  • Purity/Analytical Methods: >99.0%
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1213003-24-7 / (1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine

6-Bromo-1,2,3,4-tetrahydronaphthalen-1-amine | MFCD20463916 | 6-Bromo-1,2,3,4-tetrahydro-naphthalen-1-ylamine

Standard CAS: 1213003-24-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213003-24-7
Multi CAS
Yes
Molecular Formula
C10H12BrN
Molecular Weight
226.110000
Exact Mass
225.015310
SMILES
C1C[C@H](C2=C(C1)C=C(C=C2)Br)N
InChI
InChI=1S/C10H12BrN/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,10H,1-3,12H2/t10-/m1/s1
InChIKey
JBGXAYOORBASGV-SNVBAGLBSA-N
Synonyms
6-Bromo-1,2,3,4-tetrahydronaphthalen-1-amine MFCD20463916 6-Bromo-1,2,3,4-tetrahydro-naphthalen-1-ylamine AK-89523 6-bromotetralin-1-amine

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
54.01
TPSA
26.02

LogP / Solubility

WLOGP
2.79
MLOGP
2.45
XLogP3
2.3
Consensus LogP
2.51
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.12

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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