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CAS 1056619-14-7 2-(5-nitro-1H-indazol-1-yl)ethanol molecular structure lightbox
CAS RN: 1056619-14-7

2-(5-nitro-1H-indazol-1-yl)ethanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1056619-14-7
  • Purity/Analytical Methods: >99.0%
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1056619-14-7 / 2-(5-nitroindazol-1-yl)ethanol

2-(5-nitro-1H-indazol-1-yl)ethanol | 2-(5-nitroindazol-1-yl)ethanol | 2-(5-Nitro-1H-indazol-1-yl)ethan-1-ol

Standard CAS: 1056619-14-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1056619-14-7
Multi CAS
No
Molecular Formula
C9H9N3O3
Molecular Weight
207.190000
Exact Mass
207.064391
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=NN2CCO
InChI
InChI=1S/C9H9N3O3/c13-4-3-11-9-2-1-8(12(14)15)5-7(9)6-10-11/h1-2,5-6,13H,3-4H2
InChIKey
ARJLAPREGBZGMU-UHFFFAOYSA-N
Synonyms
2-(5-nitro-1H-indazol-1-yl)ethanol 2-(5-nitroindazol-1-yl)ethanol 2-(5-Nitro-1H-indazol-1-yl)ethan-1-ol MFCD14708234 SCHEMBL2933655

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.47
TPSA
81.19

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
0.6
Consensus LogP
0.79
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-3.32

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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