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CAS 154164-30-4 YM90Khydrochloride molecular structure lightbox
CAS RN: 154164-30-4

YM90Khydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS154164-30-4
  • Purity/Analytical Methods: >99.0%
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154164-30-4 / 6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrochloride

Standard CAS: 154164-30-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154164-30-4
Multi CAS
No
Molecular Formula
C11H8ClN5O4
Molecular Weight
309.660000
Exact Mass
309.026481
SMILES
C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-].Cl
InChI
InChI=1S/C11H7N5O4.ClH/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15;/h1-5H,(H,13,17)(H,14,18);1H
InChIKey
UMLFDVOHVJPDIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
76.21
TPSA
126.68

LogP / Solubility

WLOGP
0.73
MLOGP
0.66
XLogP3
0.73
Consensus LogP
0.71
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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