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CAS 149400-88-4 4-amidinoindan-1-one 2′-amidinohydrazone molecular structure lightbox
CAS RN: 149400-88-4

4-amidinoindan-1-one 2′-amidinohydrazone

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 10mg Out of stock Inquiry
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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS149400-88-4
  • Purity/Analytical Methods: >99.0%
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149400-88-4 / (1E)-1-(diaminomethylidenehydrazinylidene)-2,3-dihydroindene-4-carboximidamide

Standard CAS: 149400-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149400-88-4
Multi CAS
No
Molecular Formula
C11H14N6
Molecular Weight
230.270000
Exact Mass
230.127994
SMILES
C1C/C(=N\N=C(N)N)/C2=C1C(=CC=C2)C(=N)N
InChI
InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+
InChIKey
CYPGNVSXMAUSJY-CXUHLZMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
4
Molar refractivity
68.13
TPSA
126.63

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.09
XLogP3
-0.3
Consensus LogP
-0.17
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

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

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