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CAS 85392-79-6 Indanidine molecular structure lightbox
CAS RN: 85392-79-6

Indanidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS85392-79-6
  • Purity/Analytical Methods: >99.0%
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85392-79-6 / N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylindazol-4-amine

Standard CAS: 85392-79-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85392-79-6
Multi CAS
Yes
Molecular Formula
C11H13N5
Molecular Weight
215.250000
Exact Mass
215.117095
InChI
InChI=1S/C11H13N5/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
InChIKey
PNHJTLDBYZVCGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.64
TPSA
54.24

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
0.3
Consensus LogP
0.69
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

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