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CAS 807287-45-2 3-(chloromethyl)-4,5,6,7-tetrahydro-1H-indazole molecular structure lightbox
CAS RN: 807287-45-2

3-(chloromethyl)-4,5,6,7-tetrahydro-1H-indazole

  • Product code: SSC-189419
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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: 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 807287-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry

807287-45-2 / 3-(chloromethyl)-4,5,6,7-tetrahydro-1H-indazole

Standard CAS: 807287-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
807287-45-2
Multi CAS
No
Molecular Formula
C8H11CLN2
Molecular Weight
170.640000
Exact Mass
170.061076
InChI
InChI=1S/C8H11ClN2/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-5H2,(H,10,11)
InChIKey
VBUSJORKMODRCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.79
TPSA
28.68

LogP / Solubility

WLOGP
2.03
MLOGP
1.78
XLogP3
1.9
Consensus LogP
1.9
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

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

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