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CAS 131427-22-0 1-Benzyl-3-(chloroMethyl)-1H-indazole molecular structure lightbox
CAS RN: 131427-22-0

1-Benzyl-3-(chloroMethyl)-1H-indazole

  • Product code: SSC-038281
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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: 0.1g, 0.25g, 5g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 131427-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

131427-22-0 / 1-benzyl-3-(chloromethyl)indazole

Standard CAS: 131427-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131427-22-0
Multi CAS
No
Molecular Formula
C15H13ClN2
Molecular Weight
256.730000
Exact Mass
256.076726
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)CCl
InChI
InChI=1S/C15H13ClN2/c16-10-14-13-8-4-5-9-15(13)18(17-14)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
WUUJVTQUZJCUSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
74.83
TPSA
17.82

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
3.6
Consensus LogP
3.6
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

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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