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CAS 202197-31-7 5-Amino-1-(3-fluorobenzyl)indazole molecular structure lightbox
CAS RN: 202197-31-7

5-Amino-1-(3-fluorobenzyl)indazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS202197-31-7
  • Purity/Analytical Methods: >99.0%
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202197-31-7 / 1-[(3-fluorophenyl)methyl]indazol-5-amine

Standard CAS: 202197-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202197-31-7
Multi CAS
No
Molecular Formula
C14H12FN3
Molecular Weight
241.260000
Exact Mass
241.101526
SMILES
C1=CC(=CC(=C1)F)CN2C3=C(C=C(C=C3)N)C=N2
InChI
InChI=1S/C14H12FN3/c15-12-3-1-2-10(6-12)9-18-14-5-4-13(16)7-11(14)8-17-18/h1-8H,9,16H2
InChIKey
BTNPJMNKYNWUPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.65
TPSA
43.84

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
2.6
Consensus LogP
2.63
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.2

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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