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CAS 68755-44-2 3-dihydro-1H-inden-1-aMine hydrochloride molecular structure lightbox
CAS RN: 68755-44-2

3-dihydro-1H-inden-1-aMine hydrochloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 100mg In stock Shanghai Inquiry
Batchno.20250106 1g In stock Shanghai Inquiry
Batchno.20250730 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS68755-44-2
  • Purity/Analytical Methods: >99.0%
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68755-44-2 / 4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride

Standard CAS: 68755-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68755-44-2
Multi CAS
No
Molecular Formula
C10H11CLF3N
Molecular Weight
237.650000
Exact Mass
237.053212
InChI
InChI=1S/C10H10F3N.ClH/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14;/h1-3,9H,4-5,14H2;1H
InChIKey
OZHFWZYKRYFCJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.94
TPSA
26.02

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.07
Consensus LogP
2.95
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.99

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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