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CAS 45766-35-6 2,3-DIHYDRO-1H-ISOINDOL-5-AMINE molecular structure lightbox
CAS RN: 45766-35-6

2,3-DIHYDRO-1H-ISOINDOL-5-AMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS45766-35-6
  • Purity/Analytical Methods: >99.0%
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45766-35-6 / 2,3-dihydro-1H-isoindol-5-amine

Standard CAS: 45766-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
45766-35-6
Multi CAS
No
Molecular Formula
C8H10N2
Molecular Weight
134.180000
Exact Mass
134.084398
InChI
InChI=1S/C8H10N2/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5,9H2
InChIKey
YTIFSHPDDSIFRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.4
TPSA
38.05

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.2
Consensus LogP
0.61
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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