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CAS 1192263-96-9 4-Chloro-7-nitro-1H-indazol-3-amine molecular structure lightbox
CAS RN: 1192263-96-9

4-Chloro-7-nitro-1H-indazol-3-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1192263-96-9
  • Purity/Analytical Methods: >99.0%
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1192263-96-9 / 4-chloro-7-nitro-1H-indazol-3-amine

4-chloro-7-nitro-1H-indazol-3-amine | MFCD13193093 | SCHEMBL21811225

Standard CAS: 1192263-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1192263-96-9
Multi CAS
No
Molecular Formula
C7H5ClN4O2
Molecular Weight
212.590000
Exact Mass
212.010103
SMILES
C1=CC(=C2C(=C1[N+](=O)[O-])NN=C2N)Cl
InChI
InChI=1S/C7H5ClN4O2/c8-3-1-2-4(12(13)14)6-5(3)7(9)11-10-6/h1-2H,(H3,9,10,11)
InChIKey
IUSPKTIVYGCXMZ-UHFFFAOYSA-N
Synonyms
4-chloro-7-nitro-1H-indazol-3-amine MFCD13193093 SCHEMBL21811225 SCHEMBL29845429 SXB26396

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.17
TPSA
97.84

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

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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