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CAS 1108745-30-7 5-(3,5-difluorobenzyl)-1H-indazol-3-amine molecular structure lightbox
CAS RN: 1108745-30-7

5-(3,5-difluorobenzyl)-1H-indazol-3-amine

  • Product code: SSC-011812
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1108745-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1108745-30-7 / 5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine

5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine | 5-((3,5-difluorophenyl)methyl)-1H-indazol-3-amine | RefChem:528584

Standard CAS: 1108745-30-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1108745-30-7
Multi CAS
No
Molecular Formula
C14H11F2N3
Molecular Weight
259.250000
Exact Mass
259.092104
SMILES
C1=CC2=C(C=C1CC3=CC(=CC(=C3)F)F)C(=NN2)N
InChI
InChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)7-10)3-8-1-2-13-12(6-8)14(17)19-18-13/h1-2,4-7H,3H2,(H3,17,18,19)
InChIKey
CZQCRNRCCQSJHD-UHFFFAOYSA-N
Synonyms
5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine 5-((3,5-difluorophenyl)methyl)-1H-indazol-3-amine RefChem:528584 834-084-2 5-(3,5-Difluorobenzyl)-1H-indazol-3-amine

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.67
TPSA
54.7

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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