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CAS 309740-49-6 Methyl 1-Methyl-4-nitro-1H-pyrazole-5-carboxylate molecular structure lightbox
CAS RN: 309740-49-6

Methyl 1-Methyl-4-nitro-1H-pyrazole-5-carboxylate

  • Product code: SSC-136140
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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, 5g, 100g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 309740-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
5g ≥98% 5 In Stock Shenzhen Inquiry
100g ≥98% 3 In Stock Shenzhen Inquiry
10g ≥98% 2 In Stock Shenzhen Inquiry
25g ≥98% 2 In Stock Shenzhen Inquiry

309740-49-6 / methyl 1-methyl-4-nitropyrazole-5-carboxylate

Standard CAS: 309740-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
309740-49-6
Multi CAS
Yes
Molecular Formula
C6H7N3O4
Molecular Weight
185.140000
Exact Mass
185.043656
InChI
InChI=1S/C6H7N3O4/c1-8-5(6(10)13-2)4(3-7-8)9(11)12/h3H,1-2H3
InChIKey
ANWHCLPGJQUYRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
41.2
TPSA
87.26

LogP / Solubility

WLOGP
0.11
MLOGP
0.1
XLogP3
0.2
Consensus LogP
0.14
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-3.77

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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