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CAS 1341758-26-6 5-Cyclopropyl-4-iodo-1H-pyrazole molecular structure lightbox
CAS RN: 1341758-26-6

5-Cyclopropyl-4-iodo-1H-pyrazole

  • Product code: SSC-041568
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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, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1341758-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1341758-26-6 / 5-cyclopropyl-4-iodo-1H-pyrazole

Standard CAS: 1341758-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341758-26-6
Multi CAS
No
Molecular Formula
C6H7IN2
Molecular Weight
234.040000
Exact Mass
233.965400
SMILES
C1CC1C2=C(C=NN2)I
InChI
InChI=1S/C6H7IN2/c7-5-3-8-9-6(5)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChIKey
VPRBOUPCQZBZAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.28
TPSA
28.68

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.4
Consensus LogP
1.65
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.8

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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