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CAS 6715-84-0 methyl (4-nitro-1H-pyrazol-1-yl)acetate molecular structure lightbox
CAS RN: 6715-84-0

methyl (4-nitro-1H-pyrazol-1-yl)acetate

  • Product code: SSC-176791
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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: 5g, 10g, 0.25g, 1g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 6715-84-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 4 In Stock Beijing Inquiry
0.25g >97% 3 In Stock Shanghai Inquiry
1g >97% 2 In Stock Shanghai Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

6715-84-0 / methyl 2-(4-nitropyrazol-1-yl)acetate

Standard CAS: 6715-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6715-84-0
Multi CAS
No
Molecular Formula
C6H7N3O4
Molecular Weight
185.140000
Exact Mass
185.043656
InChI
InChI=1S/C6H7N3O4/c1-13-6(10)4-8-3-5(2-7-8)9(11)12/h2-3H,4H2,1H3
InChIKey
GEADOFDFVOSIOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
40.9
TPSA
87.26

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.03
XLogP3
0.1
Consensus LogP
0.01
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.87

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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