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CAS 4077-76-3 Dimethyl 1H-pyrazole-3,5-dicarboxylate molecular structure lightbox
CAS RN: 4077-76-3

Dimethyl 1H-pyrazole-3,5-dicarboxylate

  • Product code: SSC-149112
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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, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • 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 4077-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 3 In Stock Beijing Inquiry
10g ≥98% 1 In Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

4077-76-3 / dimethyl 1H-pyrazole-3,5-dicarboxylate

Standard CAS: 4077-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4077-76-3
Multi CAS
No
Molecular Formula
C7H8N2O4
Molecular Weight
184.150000
Exact Mass
184.048407
InChI
InChI=1S/C7H8N2O4/c1-12-6(10)4-3-5(9-8-4)7(11)13-2/h3H,1-2H3,(H,8,9)
InChIKey
SIPQVJNEQSWAOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
41.27
TPSA
81.28

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.02
XLogP3
0.6
Consensus LogP
0.19
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-3.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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