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CAS 2946-89-6 1-NITROGUANYL-3,5-DIMETHYL-PYRAZOLE molecular structure lightbox
CAS RN: 2946-89-6

1-NITROGUANYL-3,5-DIMETHYL-PYRAZOLE

  • Product code: SSC-132320
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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
  • 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 2946-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Beijing Inquiry

2946-89-6 / 3,5-dimethyl-N'-nitropyrazole-1-carboximidamide

Standard CAS: 2946-89-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2946-89-6
Multi CAS
Yes
Molecular Formula
C6H9N5O2
Molecular Weight
183.170000
Exact Mass
183.075625
InChI
InChI=1S/C6H9N5O2/c1-4-3-5(2)10(8-4)6(7)9-11(12)13/h3H,1-2H3,(H2,7,9)
InChIKey
YJQYMUPERFRTJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.72
TPSA
99.34

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.13
XLogP3
0.8
Consensus LogP
0.17
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

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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