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CAS 23705-85-3 Dimethyl 4-Hydroxypyrazole-3,5-dicarboxylate molecular structure lightbox
CAS RN: 23705-85-3

Dimethyl 4-Hydroxypyrazole-3,5-dicarboxylate

  • Product code: SSC-115293
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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, 25g, 0.1g, 0.25g, 10g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 23705-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
25g ≥95% 3 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

23705-85-3 / dimethyl 4-hydroxy-1H-pyrazole-3,5-dicarboxylate

Standard CAS: 23705-85-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23705-85-3
Multi CAS
No
Molecular Formula
C7H8N2O5
Molecular Weight
200.150000
Exact Mass
200.043321
SMILES
COC(=O)C1=C(C(=NN1)C(=O)OC)O
InChI
InChI=1S/C7H8N2O5/c1-13-6(11)3-5(10)4(9-8-3)7(12)14-2/h10H,1-2H3,(H,8,9)
InChIKey
FBZGCRCSPADZHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
42.93
TPSA
101.51

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.27
XLogP3
0.8
Consensus LogP
0.07
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
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)
-4.16

Drug-likeness / Medicinal Chemistry

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

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