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CAS 100960-35-8 6-AMINO-5-CHLORO-1H-INDAZOLE molecular structure lightbox
CAS RN: 100960-35-8

6-AMINO-5-CHLORO-1H-INDAZOLE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS100960-35-8
  • Purity/Analytical Methods: >99.0%
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100960-35-8 / 5-chloro-1H-indazol-6-amine

5-Chloro-1H-indazol-6-amine | RefChem:534314 | 103-817-1

Standard CAS: 100960-35-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100960-35-8
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
C1=C2C=NNC2=CC(=C1Cl)N
InChI
InChI=1S/C7H6ClN3/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey
UBSUVQXJCAJWPB-UHFFFAOYSA-N
Synonyms
5-Chloro-1H-indazol-6-amine RefChem:534314 103-817-1 1H-Indazol-6-amine, 5-chloro- 6-AMINO-5-CHLORO-1H-INDAZOLE

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.52
TPSA
54.7

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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