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CAS 1259778-48-7 (1S)-5,6-DICHLOROINDANYLAMINE molecular structure lightbox
CAS RN: 1259778-48-7

(1S)-5,6-DICHLOROINDANYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1259778-48-7
  • Purity/Analytical Methods: >99.0%
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1259778-48-7 / (1S)-5,6-dichloro-2,3-dihydro-1H-inden-1-amine

Standard CAS: 1259778-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1259778-48-7
Multi CAS
No
Molecular Formula
C9H9Cl2N
Molecular Weight
202.080000
Exact Mass
201.011205
SMILES
C1CC2=CC(=C(C=C2[C@H]1N)Cl)Cl
InChI
InChI=1S/C9H9Cl2N/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4,9H,1-2,12H2/t9-/m0/s1
InChIKey
XWCCMCNCBDSVFJ-VIFPVBQESA-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
51.71
TPSA
26.02

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.5
Consensus LogP
2.68
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-1.87

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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