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CAS 137466-04-7 7-bromonaphthalen-1-amine hydrochloride molecular structure lightbox
CAS RN: 137466-04-7

7-bromonaphthalen-1-amine hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS137466-04-7
  • Purity/Analytical Methods: >99.0%
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137466-04-7 / 7-bromonaphthalen-1-amine;hydrochloride

Standard CAS: 137466-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137466-04-7
Multi CAS
No
Molecular Formula
C10H9BrClN
Molecular Weight
258.540000
Exact Mass
256.960690
SMILES
C1=CC2=C(C=C(C=C2)Br)C(=C1)N.Cl
InChI
InChI=1S/C10H8BrN.ClH/c11-8-5-4-7-2-1-3-10(12)9(7)6-8;/h1-6H,12H2;1H
InChIKey
LKIWVZUUPBZLSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.31
TPSA
26.02

LogP / Solubility

WLOGP
3.61
MLOGP
3.18
XLogP3
3.61
Consensus LogP
3.47
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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