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CAS 1810069-91-0 6-Bromo-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride molecular structure lightbox
CAS RN: 1810069-91-0

6-Bromo-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 100mg In stock Shanghai Inquiry
Batchno.20260315 1g In stock Shanghai Inquiry
Batchno.20260601 250mg In stock Shanghai Inquiry
Batchno.20250923 5g In stock Shanghai Inquiry
  • Product code: LINB897675
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1810069-91-0 / 6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

Standard CAS: 1810069-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1810069-91-0
Multi CAS
No
Molecular Formula
C10H13BrClN
Molecular Weight
262.570000
Exact Mass
260.991990
SMILES
C1CC(C2=C(C1)C=C(C=C2)Br)N.Cl
InChI
InChI=1S/C10H12BrN.ClH/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;/h4-6,10H,1-3,12H2;1H
InChIKey
FPTQDDKJLYZDHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.26
TPSA
26.02

LogP / Solubility

WLOGP
3.21
MLOGP
2.83
XLogP3
3.21
Consensus LogP
3.08
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.04

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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