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CAS 1443238-61-6 1H-Inden-1-amine,5-bromo-2,3-dihydro-,hydrochloride(1:1),(1R)- molecular structure lightbox
CAS RN: 1443238-61-6

1H-Inden-1-amine,5-bromo-2,3-dihydro-,hydrochloride(1:1),(1R)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250516 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS1443238-61-6
  • Purity/Analytical Methods: >99.0%
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1443238-61-6 / (1R)-5-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride

Standard CAS: 1443238-61-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443238-61-6
Multi CAS
No
Molecular Formula
C9H11BrClN
Molecular Weight
248.550000
Exact Mass
246.976340
SMILES
C1CC2=C([C@@H]1N)C=CC(=C2)Br.Cl
InChI
InChI=1S/C9H10BrN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H/t9-;/m1./s1
InChIKey
GLGQSSHHFWJLAI-SBSPUUFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.64
TPSA
26.02

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.24

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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