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CAS 1175793-77-7 3-m-tolyl-1H-indazol-5-amine molecular structure lightbox
CAS RN: 1175793-77-7

3-m-tolyl-1H-indazol-5-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1175793-77-7
  • Purity/Analytical Methods: >99.0%
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1175793-77-7 / 3-(3-methylphenyl)-1H-indazol-5-amine

3-(M-tolyl)-1H-indazol-5-amine | 3-(3-methylphenyl)-1H-indazol-5-amine | 3-m-tolyl-1H-indazol-5-amine

Standard CAS: 1175793-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1175793-77-7
Multi CAS
No
Molecular Formula
C14H13N3
Molecular Weight
223.270000
Exact Mass
223.110947
SMILES
CC1=CC(=CC=C1)C2=NNC3=C2C=C(C=C3)N
InChI
InChI=1S/C14H13N3/c1-9-3-2-4-10(7-9)14-12-8-11(15)5-6-13(12)16-17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKey
QICXZXCGXPZTEN-UHFFFAOYSA-N
Synonyms
3-(M-tolyl)-1H-indazol-5-amine 3-(3-methylphenyl)-1H-indazol-5-amine 3-m-tolyl-1H-indazol-5-amine MFCD11893549 DTXSID10653480

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.68
TPSA
54.7

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

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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