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CAS 2109874-07-7 (1S)-4-CHLORO-2,3-DIHYDRO-1H-INDEN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 2109874-07-7

(1S)-4-CHLORO-2,3-DIHYDRO-1H-INDEN-1-AMINE HYDROCHLORIDE

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 100mg Out of stock Inquiry
Batchno.20250729 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2109874-07-7
  • Purity/Analytical Methods: >99.0%
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2109874-07-7 / (1S)-4-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride

Standard CAS: 2109874-07-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2109874-07-7
Multi CAS
No
Molecular Formula
C9H11Cl2N
Molecular Weight
204.090000
Exact Mass
203.026855
SMILES
C1CC2=C([C@H]1N)C=CC=C2Cl.Cl
InChI
InChI=1S/C9H10ClN.ClH/c10-8-3-1-2-7-6(8)4-5-9(7)11;/h1-3,9H,4-5,11H2;1H/t9-;/m0./s1
InChIKey
YYLDPTIPXZCUCP-FVGYRXGTSA-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
53.95
TPSA
26.02

LogP / Solubility

WLOGP
2.71
MLOGP
2.38
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.04

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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