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CAS 2055841-65-9 6-CHLORO-1,2,3,4-TETRA HYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 2055841-65-9

6-CHLORO-1,2,3,4-TETRA HYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250601 100mg Out of stock Inquiry
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  • Product code: starshine_CAS2055841-65-9
  • Purity/Analytical Methods: >99.0%
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2055841-65-9 / 6-chloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

Standard CAS: 2055841-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055841-65-9
Multi CAS
No
Molecular Formula
C10H13Cl2N
Molecular Weight
218.120000
Exact Mass
217.042505
SMILES
C1CC(C2=C(C1)C=C(C=C2)Cl)N.Cl
InChI
InChI=1S/C10H12ClN.ClH/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;/h4-6,10H,1-3,12H2;1H
InChIKey
AXGVCEPSKLJNQI-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
58.57
TPSA
26.02

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.85

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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